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trans-3-hexenedioic acid, dimethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 4 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iu3787cJW92
Name trans-3-HEXENEDIOIC ACID, DIMETHYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 125C/14mm
CAS Registry Number 25126-93-6
Copyright Copyright © 1980, 1981-2024 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 172.18
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3-HEXENEDIOIC ACID, DIMETHYL ESTER, trans-,