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

*Links on SpectraBase are not permalinks.
2-Cyclohexene-1-acetic acid, 2-methyl-.alpha.-(methylsulfonyl)-, methyl ester
SpectraBase Compound ID 5nG9kgrzjSd
InChI InChI=1S/C11H18O4S/c1-8-6-4-5-7-9(8)10(11(12)15-2)16(3,13)14/h6,9-10H,4-5,7H2,1-3H3
InChIKey JNMUVQDAFDQUQI-UHFFFAOYSA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 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 35WinRqGAQt
Name 2-Cyclohexene-1-acetic acid, 2-methyl-.alpha.-(methylsulfonyl)-, methyl ester
CAS Registry Number 67428-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-8-6-4-5-7-9(8)10(11(12)15-2)16(3,13)14/h6,9-10H,4-5,7H2,1-3H3
InChIKey JNMUVQDAFDQUQI-UHFFFAOYSA-N
Molecular Weight 246.321 g/mol
SMILES C(S(=O)(=O)C)(C1C(=CCCC1)C)C(=O)OC
SPLASH splash10-002o-9800000000-7d90dedcc01de2b1401b
Source of Spectrum C-100-3422-0
Synonyms 2-Methyl-1-(1'-carbomethoxy-1'-phenylsulfonyl methyl)-2-cyclohexene Methyl (2-methyl-2-cyclohexen-1-yl)(methylsulfonyl)acetate
Wiley ID 1248541