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Butanoic acid, 4-(acetyloxy)-3-oxo-, methyl ester
SpectraBase Compound ID 6Ip8brwMSYs
InChI InChI=1S/C7H10O5/c1-5(8)12-4-6(9)3-7(10)11-2/h3-4H2,1-2H3
InChIKey YGSVVJZHBIUMSG-UHFFFAOYSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ROcYWPQi
Name Butanoic acid, 4-(acetyloxy)-3-oxo-, methyl ester
Alternate Name(s) 4-Acetoxy-3-keto-butyric acid methyl ester 4-Acetyloxy-3-oxobutanoic acid methyl ester Methyl 4-acetoxy-3-oxo-butanoate Methyl 4-acetyloxy-3-oxidanylidene-butanoate
CAS Registry Number 87730-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c1-5(8)12-4-6(9)3-7(10)11-2/h3-4H2,1-2H3
InChIKey YGSVVJZHBIUMSG-UHFFFAOYSA-N
Molecular Weight 174.152 g/mol
SMILES C(C(=O)OC)C(=O)COC(=O)C
SPLASH splash10-0006-9200000000-4c3de8308cd1821ffa16
Source of Spectrum H-66-1490-0
Wiley ID 1170128