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Levulinic acid
SpectraBase Compound ID 1X7Y37pOFGU
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N
Mol Weight 116.12 g/mol
Molecular Formula C5H8O3
Exact Mass 116.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJeY97Bz4me
Name Levulinic acid
CAS Registry Number 123-76-2
Classification Educt for nylons, synthetic rubbers, plastics and pharmaceuticals
Comments Spectrum verified by crosschecking against external libraries (three 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 116.047344115 u
Formula C5H8O3
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 116.116 g/mol
Nominal Mass 116 u
Quality 862
Retention Index 786
SMILES OC(CCC(=O)C)=O
SPLASH splash10-0006-9000000000-9f5d9fc5a20088750c39
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Oxovalerate b-Acetylpropionic acid g-Ketovaleric acid 4-Oxopentanoic acid
Technique GC/MS
Wiley ID DD2024_018289