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3-Hexenoic acid, methyl ester, (E)-

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 17 MS (GC)

3-Hexenoic acid, methyl ester, (E)-
SpectraBase Compound ID Aw7lakni9Dr
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey XEAIHUDTEINXFG-SNAWJCMRSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EDwHabOQ9uf
Name 3-Hexenoic acid, methyl ester, (E)-; 3-hexenoic acid, methyl ester, trans-; trans-3-hexenoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 128.083729624 u
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey XEAIHUDTEINXFG-SNAWJCMRSA-N
SMILES C(C\C=C\CC)(OC)=O
Spectrum/Structure Validation Score (Raman) 0.926107