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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ccUurqO1Kf
Name Sorbate
Source of Sample SAFC Cat. #W371424
CAS Registry Number 689-89-4
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  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
Number of Peaks 50
RI2 860
RI4 1019
RI5 690
SMILES C(\C=C\C=C\C)(=O)OC
SPLASH splash10-02t9-9300000000-2531a86d9221cda1ca35
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,4-Hexadienoic acid, methyl ester, (2E,4E)-
Wiley ID LM_LIPIDS2016_369