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Dimethyl (2E)-4-cyclopropyl-2-heptenedioate
SpectraBase Compound ID IzOBlngYxry
InChI InChI=1S/C12H18O4/c1-15-11(13)7-5-10(9-3-4-9)6-8-12(14)16-2/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKey DDTONNIROHNIFP-FNORWQNLSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrjK1ru20gn
Name Dimethyl (2E)-4-cyclopropyl-2-heptenedioate
CAS Registry Number 74793-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(13)7-5-10(9-3-4-9)6-8-12(14)16-2/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKey DDTONNIROHNIFP-FNORWQNLSA-N
Molecular Weight 226.272 g/mol
SMILES COC(=O)CCC(\C=C\C(=O)OC)C1CC1
SPLASH splash10-0596-7900000000-6388beb13b67cc979724
Source of Spectrum HE-1982-0-0
Synonyms (E)-4-cyclopropyl-2-heptenedioic acid dimethyl ester (E)-4-cyclopropylhept-2-enedioic acid dimethyl ester 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- Dimethyl (E)-4-cyclopropylhept-2-enedioate
Wiley ID 1227227