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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 6Hfn8aqZcpP
Name 2,4-HEXADIENOIC ACID, METHYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 126.068079560 u
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
Nominal Mass 126 u
Number of Peaks 68
SMILES C\C=C\C=C\C(OC)=O
SPLASH splash10-02tc-9200000000-ed85f83a4d1edfd44374
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001243