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mono-Methyl hydrogen succinate
SpectraBase Compound ID KhW94Ogdq1R
InChI InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey JDRMYOQETPMYQX-UHFFFAOYSA-N
Mol Weight 132.11 g/mol
Molecular Formula C5H8O4
Exact Mass 132.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JGWa500iKO
Name Butanedioic acid monomethyl ester
CAS Registry Number 3878-55-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 132.042258734 u
Formula C5H8O4
InChI InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey JDRMYOQETPMYQX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 132.115 g/mol
Nominal Mass 132 u
Quality 842
Retention Index 895
SMILES OC(CCC(OC)=O)=O
SPLASH splash10-0zfr-9600000000-fbcaf2328cb2d182f52e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms mono-Methyl succinate 4-Methoxy-4-oxobutanoic acid
Technique GC/MS
Wiley ID DD2024_021635