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2-Butenedioic acid, 2-methyl-, 4-ethyl 1-methyl ester, (Z)-
SpectraBase Compound ID GWtNQXLJHrL
InChI InChI=1S/C8H12O4/c1-4-12-7(9)5-6(2)8(10)11-3/h5H,4H2,1-3H3/b6-5-
InChIKey GERHSFWFMNSNCM-WAYWQWQTSA-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 8W4s2JSaAKt
Name 2-Butenedioic acid, 2-methyl-, 4-ethyl 1-methyl ester, (Z)-
Alternate Name(s) 1-Methyl 4-ethyl citraconate 4-Ethyl 1-methyl (2Z)-2-methyl-2-butenedioate (Z)-2-methyl-2-butenedioic acid O4-ethyl ester O1-methyl ester 4-O-ethyl 1-O-methyl (Z)-2-methylbut-2-enedioate O4-ethyl O1-methyl (Z)-2-methylbut-2-enedioate
CAS Registry Number 106487-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-4-12-7(9)5-6(2)8(10)11-3/h5H,4H2,1-3H3/b6-5-
InChIKey GERHSFWFMNSNCM-WAYWQWQTSA-N
Molecular Weight 172.180 g/mol
SMILES C(\C=C/(C(=O)OC)C)(=O)OCC
SPLASH splash10-004i-0900000000-42cfa68bbf8ea1fa5893
Source of Spectrum O-21-227-1
Wiley ID 1168491