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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 2lasPtkrH8q
Name (E)-2-Butenedioic acid dimethyl ester
CAS Registry Number 624-49-7
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 144.042258734 u
Formula C6H8O4
InChI InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 144.126 g/mol
Nominal Mass 144 u
Quality 991
Retention Index 983
SMILES C(\C=C\C(OC)=O)(OC)=O
SPLASH splash10-03di-8900000000-72f97ec7204c137c9f1f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Dimethyl fumarate dimethyl (2E)-but-2-enedioate
Technique GC/MS
Wiley ID DD2024_032030