(S)-Verbenone
C10H14O
1196-01-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  13 14 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.5778 5.5181 0.0 0
M  V30 2 C 0.8630 4.5284 0.0 0
M  V30 3 C 1.5409 0.0000 0.0 0
M  V30 4 O 6.1618 2.6671 0.0 0
M  V30 5 C 1.5400 2.6679 0.0 0 CFG=2
M  V30 6 C 2.3100 4.0015 0.0 0
M  V30 7 C 3.0809 2.6674 0.0 0
M  V30 8 C 2.3109 1.3336 0.0 0
M  V30 9 C 3.8509 4.0011 0.0 0 CFG=1
M  V30 10 C 3.8518 1.3332 0.0 0
M  V30 11 C 4.6218 2.6668 0.0 0
M  V30 12 H 0.0000 2.6676 0.0 0
M  V30 13 H 4.6209 5.3347 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 2 6
M  V30 3 1 3 8
M  V30 4 2 4 11
M  V30 5 1 5 6
M  V30 6 1 5 7 CFG=3
M  V30 7 1 5 8
M  V30 8 1 5 12
M  V30 9 1 6 9
M  V30 10 1 9 7 CFG=3
M  V30 11 2 8 10
M  V30 12 1 9 11
M  V30 13 1 9 13
M  V30 14 1 10 11
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 5 9)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1196-01-6

> <cas.index.name>
Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-

> <molecular.formula>
C10H14O

> <molecular.weight>
150.22

> <boiling.point.experimental>
227.5 °C

> <density.experimental>
0.980 g/cm³    Temp: 15 °C

$$$$
