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

*Links on SpectraBase are not permalinks.
4-Pentenoic acid, 4-methyl-2-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID LRWVlmUURPU
InChI InChI=1S/C13H16O4S/c1-10(2)9-12(13(14)17-3)18(15,16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey MHHIHAQWOVMYLG-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 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 G0U7lM4YIc2
Name 4-Pentenoic acid, 4-methyl-2-(phenylsulfonyl)-, methyl ester
CAS Registry Number 74976-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-10(2)9-12(13(14)17-3)18(15,16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey MHHIHAQWOVMYLG-UHFFFAOYSA-N
Molecular Weight 268.327 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)OC)CC(=C)C
SPLASH splash10-004i-9500000000-6796a7c667e3597d378d
Source of Spectrum C-105-2333-0
Synonyms Methyl 2-(phenylsulfonyl)-4-methylenepentanoate Methyl 4-methyl-2-(phenylsulfonyl)-4-pentenoate
Wiley ID 1271821