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OXP-947 / 10-oxo-18:0 / 10-oxo-Octadecanoic acid ME |
Names: Methyl 10-Oxooctadecanoate; Methyl 10-ketostearate; 10-Oxooctadecanoic acid methyl ester; 10-ketostearic acid methyl ester
Formula: C19H36O3
Molar mass: 312.492 Da
Monoisotopic mass: 312.266 Da
SMILES: CCCCCCCCC(=O)CCCCCCCCC(=O)OC
InChI Key: YZQUPDATKHOMLU-UHFFFAOYSA-N
InChI: 1S/C19H36O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h3-17H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 25.575
- ECL on Wax: 22.648
- ECL on 5% phenyl: 19.766
- KI on Wax: 2899
- KI on 5% phenyl: 2305
Names: 10-Oxooctadecanoic acid; 10-ketostearic acid; Octadecanoic acid, 10-oxo-
Formula: C18H34O3
Molar mass: 298.465 Da
SMILES: CCCCCCCCC(=O)CCCCCCCCC(O)=O
InChI Key: BGKROBBCCGUUCF-UHFFFAOYSA-N
InChI: 1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
Lipid Maps code: LMFA02000246
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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. |