For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aS,4S,7aR)-4-Benzenesulfonyl-7a-methyl-octahydroinden-1-one
SpectraBase Compound ID JCnv5Qo7p5Q
InChI InChI=1S/C16H20O3S/c1-16-11-5-8-14(13(16)9-10-15(16)17)20(18,19)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14+,16-/m1/s1
InChIKey VFMUWARKRABSIW-IJEWVQPXSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1eMldnxKls
Name (3aS,4S,7aR)-4-Benzenesulfonyl-7a-methyl-octahydroinden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c1-16-11-5-8-14(13(16)9-10-15(16)17)20(18,19)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14+,16-/m1/s1
InChIKey VFMUWARKRABSIW-IJEWVQPXSA-N
Molecular Weight 292.393 g/mol
SMILES C1(CC[C@@]2([C@](CCC[C@@]12C)(S(=O)(=O)c1ccccc1)[H])[H])=O
SPLASH splash10-0kai-3900000000-72318f24aed0a460d442
Source of Spectrum QC-10-1593-7
Synonyms (3aS,4S,7aR)-7a-methyl-4-(phenylsulfonyl)octahydro-1H-inden-1-one
Wiley ID 871360