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(benzyloxy)benzene

(benzyloxy)benzene ID: BBC/373
CAS:946-80-5
Supplier:Aronis

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SMILES:c1cccc(c1)COc1ccccc1	
FORMULA: C13H12O
MASS: 184.2338
EXACT MASS: 184.0888150
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4310     0.8255     0.0000 
   C   4    1.6520     1.4312     0.8271     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4326     0.8241     0.0000 
   C   7    2.1808     2.4775     2.1880     1.4339     0.8250     1.4283 
   O   8    2.8562     2.9772     2.4801     1.6530     1.4289     2.1820 
   C   9    3.5942     3.7832     3.3051     2.4780     2.1827     2.8572 
   C  10    4.2835     4.3658     3.7827     2.9739     2.8562     3.5941 
   C  11    5.0141     5.1517     4.5949     3.7794     3.5935     4.2841 
   C  12    5.1477     5.4097     4.9521     4.1250     3.7780     4.3628 
   C  13    4.5838     4.9451     4.5914     3.7772     3.2925     3.7729 
   C  14    3.7738     4.1222     3.7802     2.9728     2.4697     2.9697 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8250     0.0000 
   C   9    1.4289     0.8250     0.0000 
   C  10    2.1818     1.4273     0.8253     0.0000 
   C  11    2.8558     2.1799     1.4269     0.8243     0.0000 
   C  12    2.9721     2.4719     1.6469     1.4291     0.8259     0.0000 
   C  13    2.4675     2.1758     1.4226     1.6500     1.4319     0.8292 
   C  14    1.6447     1.4229     0.8199     1.4284     1.6506     1.4305 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.8229     0.0000 



ATOMIC CHARGES
   C   1   -0.0002074836
   C   2   -0.0000171340
   C   3   -0.0002074836
   C   4   -0.0006896248
   C   5    0.0211608502
   C   6   -0.0006896248
   C   7    0.2319844793
   O   8   -0.4706416409
   C   9    0.1390523615
   C  10    0.0369144039
   C  11    0.0031124631
   C  12    0.0002015668
   C  13    0.0031124631
   C  14    0.0369144039


BOND ANGLES
   2    1    6  Car  Car  Car    120.178
   1    2    3  Car  Car  Car    119.936
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.794
   4    5    7  Car  Car   C3    120.024
   6    5    7  Car  Car   C3    120.020
   4    5    6  Car  Car  Car    119.956
   1    6    5  Car  Car  Car    120.135
   5    7    8  Car   C3   O3    119.999
   7    8    9   C3   O3  Car    119.999
   8    9   10   O3  Car  Car    119.732
   8    9   14   O3  Car  Car    119.777
  10    9   14  Car  Car  Car    120.491
   9   10   11  Car  Car  Car    119.761
  10   11   12  Car  Car  Car    120.002
  11   12   13  Car  Car  Car    119.788
  12   13   14  Car  Car  Car    119.967
   9   14   13  Car  Car  Car    119.992


TORSION ANGLES
   4    5    7    8      0.026
   6    5    7    8    179.974
   2    3    4    5      0.026
   5    7    8    9    179.974
   7    8    9   10    179.974
   7    8    9   14      0.026
   3    4    5    7    179.974
   3    4    5    6      0.026
   8    9   10   11    179.974
  14    9   10   11      0.026
   1    2    3    4      0.026
   9   10   11   12      0.026
   7    5    6    1    179.974
   4    5    6    1      0.026
  10   11   12   13      0.026
   5    6    1    2      0.026
  11   12   13   14      0.026
   6    1    2    3      0.026
  12   13   14    9      0.026
  13   14    9    8    179.974
  13   14    9   10      0.026