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Dimethyl (2E)-2-methyl-2-pentenedioate
SpectraBase Compound ID 3gsslasyFdz
InChI InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+
InChIKey NMQOICPWQBMMFF-GQCTYLIASA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZNucAngQq
Name Dimethyl (2E)-2-methyl-2-pentenedioate
Alternate Name(s) (E)-2-methyl-2-pentenedioic acid dimethyl ester (E)-2-methylpent-2-enedioic acid dimethyl ester 2-Pentenedioic acid, 2-methyl-, dimethyl ester 2-Pentenedioic acid, 3-methyl-, dimethyl ester Dimethyl (E)-2-methylpent-2-enedioate Dimethyl 2-methyl-2-pentenedioate
CAS Registry Number 52313-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+
InChIKey NMQOICPWQBMMFF-GQCTYLIASA-N
Molecular Weight 172.180 g/mol
SMILES C(\C(=C\CC(=O)OC)C)(=O)OC
SPLASH splash10-06r6-7900000000-1f1f4c23349be85af39d
Source of Spectrum NP-2-5560-0
Wiley ID 1101243