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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 9chnAj7gtDQ
Name Levulinic acid
Carrier Gas (25 mL/min)
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Exact Mass 116.047344115 u
Formula C5H8O3
GC Column HP-5 (30 m x 320 micrometer, film thickness 0.25 micrometer)
GC Oven Program Oven temp 325oC
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N
Inlet Type Split (10:1)
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/cssc.202202353
Molecular Weight 116.116 g/mol
Quality 581
SMILES OC(CCC(C)=O)=O
SPLASH splash10-052f-9000000000-03bf48fcf72d674fd11d
Sample Comments 4-oxopentanoic acid
Source of Spectrum CSC-16-SM9-LA (DOI: 10.1002/cssc.202202353)
Wiley ID 1910348