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

*Links on SpectraBase are not permalinks.
7-Isopropyl-3-(methoxycarbonyl)-2,3-dimethyl-bicyclo[2.2.2]octane-1-chloromethanesulfinate
SpectraBase Compound ID 1fbj2roKraJ
InChI InChI=1S/C15H26O2.CH3ClO2S/c1-9(2)13-8-11-6-7-12(13)10(3)15(11,4)14(16)17-5;2-1-5(3)4/h9-13H,6-8H2,1-5H3;1H2,(H,3,4)/t10-,11-,12-,13+,15+;/m1./s1
InChIKey VXLXDJFBXSAGHZ-YMWVUKQUSA-N
Mol Weight 352.92 g/mol
Molecular Formula C16H29ClO4S
Exact Mass 352.147508 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 BcYegUMkZ7B
Name 7-Isopropyl-3-(methoxycarbonyl)-2,3-dimethyl-bicyclo[2.2.2]octane-1-chloromethanesulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H29ClO4S
InChI InChI=1S/C15H26O2.CH3ClO2S/c1-9(2)13-8-11-6-7-12(13)10(3)15(11,4)14(16)17-5;2-1-5(3)4/h9-13H,6-8H2,1-5H3;1H2,(H,3,4)/t10-,11-,12-,13+,15+;/m1./s1
InChIKey VXLXDJFBXSAGHZ-YMWVUKQUSA-N
Molecular Weight 352.917 g/mol
SMILES C(C)(C)[C@]1([C@]2([C@]([C@]([C@](CC2)(C1)[H])(C)C(=O)OC)(C)[H])[H])[H].OS(CCl)=O
SPLASH splash10-004i-0900000000-354ca2ca95ced31fbbb3
Source of Spectrum D1-200-1356-6
Synonyms 5-Chloromethanesulfinyloxy-8-isopropyl-2,6-dimethyl-bicyclo[2.2.2]octane-2-carboxylic acid methyl ester
Wiley ID 835561