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OXP-961 / 12-oxo-18:0 / 12-oxo-Octadecanoic acid ME |
Names: methyl 12-oxo-octadecanoate; methyl 12-keto-stearate; 12-oxo-octadecanoic acid methyl ester; 12-keto-stearic acid methyl ester
Formula: C19H36O3
Molar mass: 312.492 Da
Monoisotopic mass: 312.266 Da
SMILES: CCCCCCC(=O)CCCCCCCCCCC(=O)OC
InChI Key: XVSPEBNRFAFNAV-UHFFFAOYSA-N
InChI: 1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 25.641
- ECL on Wax: 22.716
- KI on Wax: 2906
Names: 12-oxo-octadecanoic acid; 12-keto-stearic acid
Formula: C18H34O3
Molar mass: 298.465 Da
SMILES: CCCCCCC(=O)CCCCCCCCCCC(O)=O
InChI Key: OFOWUDSDZLONKT-UHFFFAOYSA-N
InChI: 1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
Lipid Maps code: LMFA02000256
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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. |