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sorbic acid, methyl ester

View entire compound with spectra: 5 NMR, 4 FTIR, 1 UV-Vis, and 18 MS (GC)

sorbic acid, methyl ester
SpectraBase Compound ID 1o2hmOJZYLy
InChI InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKey KWKVAGQCDSHWFK-VNKDHWASSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3GCUDL9T0hL
Name Methyl sorbate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W371424
CAS Registry Number 689-89-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKey KWKVAGQCDSHWFK-VNKDHWASSA-N
Observed nucleus 13C
Purity >=97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methyl 2,4-hexadienoate Methyl hexa-2,4-dienoate
Wiley ID SIAL_13CNMR_013236