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4-Heptenoic acid, 2-(1,4-dioxopentyl)-, methyl ester, (Z)-
SpectraBase Compound ID GV52XDjUJlS
InChI InChI=1S/C13H20O4/c1-4-5-6-7-11(13(16)17-3)12(15)9-8-10(2)14/h5-6,11H,4,7-9H2,1-3H3/b6-5-
InChIKey AMEIYMOQXLBWMI-WAYWQWQTSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UdkHzhjrU
Name 4-Heptenoic acid, 2-(1,4-dioxopentyl)-, methyl ester, (Z)-
Alternate Name(s) Methyl (4Z)-2-(4-oxopentanoyl)-4-heptenoate Z-6-carbomethoxy-8-undecen-2,5-dione
CAS Registry Number 68776-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-4-5-6-7-11(13(16)17-3)12(15)9-8-10(2)14/h5-6,11H,4,7-9H2,1-3H3/b6-5-
InChIKey AMEIYMOQXLBWMI-WAYWQWQTSA-N
Molecular Weight 240.299 g/mol
SMILES C(C(=O)OC)(C(=O)CCC(=O)C)C\C=C/CC
SPLASH splash10-0006-9810000000-4069f0fb49c4d826ca5c
Source of Spectrum I-56-2303-0
Wiley ID 1242822