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

*Links on SpectraBase are not permalinks.
trans-3-Benzenesulfonylmethyl-4-bromomethyl-1-oxaspiro[4.5]-2-decanone
SpectraBase Compound ID IKk9u4qrCN5
InChI InChI=1S/C17H21BrO4S/c18-11-15-14(12-23(20,21)13-7-3-1-4-8-13)16(19)22-17(15)9-5-2-6-10-17/h1,3-4,7-8,14-15H,2,5-6,9-12H2/t14-,15-/m1/s1
InChIKey VBOKKBFJQZTLLR-HUUCEWRRSA-N
Mol Weight 401.32 g/mol
Molecular Formula C17H21BrO4S
Exact Mass 400.034393 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 BaHCDUe76VE
Name trans-3-Benzenesulfonylmethyl-4-bromomethyl-1-oxaspiro[4.5]-2-decanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrO4S
InChI InChI=1S/C17H21BrO4S/c18-11-15-14(12-23(20,21)13-7-3-1-4-8-13)16(19)22-17(15)9-5-2-6-10-17/h1,3-4,7-8,14-15H,2,5-6,9-12H2/t14-,15-/m1/s1
InChIKey VBOKKBFJQZTLLR-HUUCEWRRSA-N
Molecular Weight 401.315 g/mol
SMILES C(S(=O)(=O)c1ccccc1)[C@]1(C(OC2([C@@]1(CBr)[H])CCCCC2)=O)[H]
SPLASH splash10-004i-9522000000-788dc0075011040d1bbb
Source of Spectrum J-64-2069-3
Synonyms (3R,4R)-4-(bromomethyl)-3-[(phenylsulfonyl)methyl]-1-oxaspiro[4.5]decan-2-one
Wiley ID 1529670