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trans-3-hexenedioic acid, dimethyl ester
SpectraBase Compound ID ILaRfmzM28I
InChI InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3+
InChIKey CPSQPCGPYWRIPB-ONEGZZNKSA-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 2BIfKcbIuP3
Name (E)-3-hexenedioic acid dimethyl ester
CAS Registry Number 25126-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3+
InChIKey CPSQPCGPYWRIPB-ONEGZZNKSA-N
Molecular Weight 172.180 g/mol
SMILES C(C(=O)OC)\C=C\CC(OC)=O
SPLASH splash10-0abc-9300000000-84be464d73bf57c9af6b
Synonyms Dimethyl (3E)-3-hexenedioate (E)-hex-3-enedioic acid dimethyl ester 3-Hexenedioic acid, dimethyl ester, (E)- Dimethyl (E)-hex-3-enedioate
Wiley ID 1500800