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3-(Phenylsulfonyl)tricyclo[8.4.0]tetradec-5-en-12-one
SpectraBase Compound ID Go2DgI2vvwb
InChI InChI=1S/C20H24O3S/c21-16-11-12-18-15(13-16)10-9-14-5-4-8-19(20(14)18)24(22,23)17-6-2-1-3-7-17/h1-7,14-15,18-20H,8-13H2/t14?,15?,18-,19+,20-/m0/s1
InChIKey ZXYBVJXSVUVYOP-FVXHLVBSSA-N
Mol Weight 344.47 g/mol
Molecular Formula C20H24O3S
Exact Mass 344.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABe6XRowEpF
Name 3-(Phenylsulfonyl)tricyclo[8.4.0]tetradec-5-en-12-one
Alternate Name(s) (4aS,4bR,5R)-5-Benzenesulfonyl-3,4,4a,4b,5,6,8a,9,10,10a-decahydro-1H-phenanthren-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3S
InChI InChI=1S/C20H24O3S/c21-16-11-12-18-15(13-16)10-9-14-5-4-8-19(20(14)18)24(22,23)17-6-2-1-3-7-17/h1-7,14-15,18-20H,8-13H2/t14?,15?,18-,19+,20-/m0/s1
InChIKey ZXYBVJXSVUVYOP-FVXHLVBSSA-N
Molecular Weight 344.469 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@@]2([C@@]3(C(CC(CC3)=O)CCC2C=CC1)[H])[H])[H]
SPLASH splash10-0udi-2090000000-5426ff4c12b2511c15e7
Source of Spectrum J-60-850-29
Wiley ID 1337973