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FUR-688 / 5-propyl FPA dME / 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid dME |
Names: Methyl 2-(3-methoxy-3-oxopropyl)-4-methyl-5-propyl-3-furoate; Methyl 2-(3-methoxy-3-oxopropyl)-4-methyl-5-propylfuran-3-carboxylate; 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid dimethyl ester; 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid dimethyl ester
Formula: C14H20O5
Molar mass: 268.309 Da
Monoisotopic mass: 268.131 Da
SMILES: CCCc1c(c(c(o1)CCC(=O)OC)C(=O)OC)C
InChI Key: MFHNAPOFQOZYAR-UHFFFAOYSA-N
InChI: 1S/C14H20O5/c1-5-6-10-9(2)13(14(16)18-4)11(19-10)7-8-12(15)17-3/h5-8H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 19.206
- ECL on Wax: 18.075
- KI on Wax: 2429
Names: 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid; 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid; CMPF; 5-Propyl-FPA
Formula: C12H16O5
Molar mass: 240.255 Da
SMILES: CCCc1oc(CCC(O)=O)c(C(O)=O)c1C
InChI Key: WMCQWXZMVIETAO-UHFFFAOYSA-N
InChI: 1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
Lipid Maps code: LMFA01150004
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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. |