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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 6ck01XfjTlO
Name 2,4-Hexadienoic acid, methyl ester
Alternate Name(s) Methyl (2E,4E)-2,4-hexadienoate (2E,4E)-hexa-2,4-dienoic acid methyl ester 2,4-Hexadienoic acid, methyl ester, (E,E)- 2,4-Hexadienoic acid, methyl ester, (2E,4E)- 2-trans-4-trans-Methyl sorbate Hexa-2,4-dienoic acid methyl ester Methyl (2E,4E)-hexa-2,4-dienoate Methyl (2E,4E)-hexadienoate Methyl (E,E)-hexa-2,4-dienoate Methyl (E,E)-sorbate Methyl 2,4-hexadienoate Methyl 2,4-hexadienoate, (E,E)- Methyl hexa-2,4-dienoate Methyl sorbate Methyl sorbate, (E,E)- Methyl trans,trans-sorbate Sorbic acid, methyl ester Sorbic acid, methyl ester, (E,E)- AI3-30202 EINECS 211-712-8 EINECS 216-160-1 FEMA NO. 3714 NSC 33701
CAS Registry Number 689-89-4
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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
Molecular Weight 126.155 g/mol
SMILES C\C=C\C=C\C(=O)OC
SPLASH splash10-014l-9200000000-948883a23bef673ca99a
Source of Spectrum W5-0-0-0
Wiley ID 1129840