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Dimethyl (2E)-4-methyl-2-pentenedioate
SpectraBase Compound ID 8zDpSHamEFR
InChI InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4-6H,1-3H3/b5-4+
InChIKey WOXXEBQDZIBOSP-SNAWJCMRSA-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 Jq8iQVocAzR
Name Dimethyl (2E)-4-methyl-2-pentenedioate
Alternate Name(s) (E)-4-methyl-2-pentenedioic acid dimethyl ester (E)-4-methylpent-2-enedioic acid dimethyl ester 2-Pentenedioic acid, 4-methyl-, dimethyl ester Dimethyl (E)-4-methylpent-2-enedioate
CAS Registry Number 76999-56-9
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/h4-6H,1-3H3/b5-4+
InChIKey WOXXEBQDZIBOSP-SNAWJCMRSA-N
Molecular Weight 172.180 g/mol
SMILES C(=O)(OC)C(C)\C=C\C(=O)OC
SPLASH splash10-08gr-9300000000-ded6859b7565bf78e987
Source of Spectrum HE-1986-690-0
Wiley ID 1168413