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

*Links on SpectraBase are not permalinks.
4-Heptenoic acid, 2-acetyl-2-methyl-, ethyl ester, (E)-
SpectraBase Compound ID JDbygweoY7B
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 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 GMgUte1Z9Pe
Name 4-HEPTENOIC ACID, 2-ACETYL-2-METHYL-, ETHYL ESTER, trans-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Instrument Name 311A
Molecular Weight 212.1407
SMILES CC\C=C\CC(C)(C(OCC)=O)C(=O)C
SPLASH splash10-00kf-9800000000-f2e7819ae5124bf0a6e8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany