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2-Butenedioic acid, 2-methyl-, 1-ethyl 4-methyl ester, (E)-
SpectraBase Compound ID 7aPIoYizM2o
InChI InChI=1S/C8H12O4/c1-4-12-8(10)6(2)5-7(9)11-3/h5H,4H2,1-3H3/b6-5+
InChIKey KBBZAZQSDNZZRC-AATRIKPKSA-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 BDGr3PoQwjQ
Name 2-Butenedioic acid, 2-methyl-, 1-ethyl 4-methyl ester, (E)-
Alternate Name(s) 1-Ethyl 4-methyl (2E)-2-methyl-2-butenedioate 1-Ethyl 4-methyl mesaconate (E)-2-methyl-2-butenedioic acid O1-ethyl ester O4-methyl ester 1-O-ethyl 4-O-methyl (E)-2-methylbut-2-enedioate O1-ethyl O4-methyl (E)-2-methylbut-2-enedioate
CAS Registry Number 58720-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-4-12-8(10)6(2)5-7(9)11-3/h5H,4H2,1-3H3/b6-5+
InChIKey KBBZAZQSDNZZRC-AATRIKPKSA-N
Molecular Weight 172.180 g/mol
SMILES C(\C=C\(C(=O)OCC)C)(=O)OC
SPLASH splash10-01t9-0900000000-8fa4932437b51b6e2650
Source of Spectrum O-21-227-2
Wiley ID 1168492