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Acetoacetic acid, propyl ester
SpectraBase Compound ID 8ACo1Y3crLL
InChI InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey DHGFMVMDBNLMKT-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Fz8sMguhFI
Name Butanoic acid,3-oxo-,propyl ester
CAS Registry Number 1779-60-8
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 144.078644243 u
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey DHGFMVMDBNLMKT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 144.170 g/mol
Nominal Mass 144 u
Quality 990
Retention Index 987
SMILES C(C(OCCC)=O)C(=O)C
SPLASH splash10-0006-9100000000-50aa9faab8d214985c29
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propyl 3-oxobutanoate
Technique GC/MS
Wiley ID DD2024_032975