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Dimethyl fumarate
SpectraBase Compound ID 7OjBRNQqFYi
InChI InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
Mol Weight 144.13 g/mol
Molecular Formula C6H8O4
Exact Mass 144.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cE1JHJxkpC
Name 2-Butenedioic acid dimethyl ester (D2)
CAS Registry Number 23055-10-9
Comments Note: The molecular formula of the structure shown is C6H8O4 - which differs from the formula reported for the mass spectrum (C6H6D2O4)
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Formula C6H6D2O4
InChI InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
Molecular Weight 144.126 g/mol
SMILES COC(=O)\C=C\C(=O)OC
SPLASH splash10-014i-6900000000-57c1d4074c18b49d9029
Synonyms 2-Butenedioic acid, dimethyl ester (D2)
Wiley ID 1484765