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syn-2-Ethylidene-butanedioic acid, 4-ethyl 1-methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

syn-2-Ethylidene-butanedioic acid, 4-ethyl 1-methyl ester
SpectraBase Compound ID 1e46lwxCZhR
InChI InChI=1S/C9H14O4/c1-4-7(9(11)12-3)6-8(10)13-5-2/h4H,5-6H2,1-3H3/b7-4+
InChIKey KKVCUGHSHGCKDX-QPJJXVBHSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EKWJwqniPec
Name Butanedioic acid, ethylidene-, 4-ethyl 1-methyl ester; syn-2-ethylidene-butanedioic acid, 4-ethyl 1-methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.089208927 u
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-4-7(9(11)12-3)6-8(10)13-5-2/h4H,5-6H2,1-3H3/b7-4+
InChIKey KKVCUGHSHGCKDX-QPJJXVBHSA-N
Molecular Weight 186.207 g/mol
SMILES C(\C(CC(OCC)=O)=C\C)(OC)=O
Spectrum/Structure Validation Score (Raman) 0.930926