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

*Links on SpectraBase are not permalinks.
3-Pentenoic acid, 2-methyl-2-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID IMygvV0YG2r
InChI InChI=1S/C13H16O2S/c1-4-10-13(2,12(14)15-3)16-11-8-6-5-7-9-11/h4-10H,1-3H3/b10-4+
InChIKey DWOXMIDMERMWRU-ONNFQVAWSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 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 IY6yPa6C70h
Name 3-Pentenoic acid, 2-methyl-2-(phenylthio)-, methyl ester, (E)-
CAS Registry Number 86895-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-4-10-13(2,12(14)15-3)16-11-8-6-5-7-9-11/h4-10H,1-3H3/b10-4+
InChIKey DWOXMIDMERMWRU-ONNFQVAWSA-N
Molecular Weight 236.329 g/mol
SMILES C(C(=O)OC)(Sc1ccccc1)(\C=C\C)C
SPLASH splash10-004i-2930000000-0fe80d48438c453228e2
Source of Spectrum KC-1986-1953-16
Synonyms (E)-Methyl 2-methyl-2-phenylthiopent-3-enoate Methyl (3E)-2-methyl-2-(phenylsulfanyl)-3-pentenoate
Wiley ID 1237982