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2-Pentenedioic acid, 4-(4-oxo-2-butenylidene)-, diethyl ester, (E,E,Z)-
SpectraBase Compound ID Kv2JdLLXHbP
InChI InChI=1S/C13H16O5/c1-3-17-12(15)9-8-11(7-5-6-10-14)13(16)18-4-2/h5-10H,3-4H2,1-2H3/b6-5-,9-8+,11-7+
InChIKey DDZUOYIDXMDIIO-DVTQQFNQSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0KOklYUuPi
Name 2-Pentenedioic acid, 4-(4-oxo-2-butenylidene)-, diethyl ester, (E,E,Z)-
Alternate Name(s) (2E,4E,6Z)-ethyl 4-ethoxycarbonyl-8-oxoocta-2,4,6-trienoate Diethyl (2E,4E)-4-[(2Z)-4-oxo-2-butenylidene]-2-pentenedioate
CAS Registry Number 116089-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-17-12(15)9-8-11(7-5-6-10-14)13(16)18-4-2/h5-10H,3-4H2,1-2H3/b6-5-,9-8+,11-7+
InChIKey DDZUOYIDXMDIIO-DVTQQFNQSA-N
Molecular Weight 252.266 g/mol
SMILES C(\C(\C=C\C(=O)OCC)=C\C=C/C=O)(=O)OCC
SPLASH splash10-0adi-0910000000-42cb753f5e7e9d1c3de7
Source of Spectrum F-43-4270-4
Wiley ID 1255352