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OTH-199 / Levulinic acid ME / 4-oxo-Pentanoic acid ME |
Names: methyl 4-oxopentanoate; 4-Oxopentanoic acid methyl ester
Formula: C6H10O3
Molar mass: 130.143 Da
Monoisotopic mass: 130.063 Da
SMILES: CC(=O)CCC(OC)=O
InChI Key: UAGJVSRUFNSIHR-UHFFFAOYSA-N
InChI: 1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 11.583
Name: 4-Oxopentanoic acid
Formula: C5H8O3
Molar mass: 116.116 Da
SMILES: CC(=O)CCC(O)=O
InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N
InChI: 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
ChEBI code: CHEBI:45630
Lipid Maps code: LMFA01060006
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |