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OXP-981 / 9-oxo 9:0 / 9-oxo-Nonanoic acid ME |
Names: Methyl 9-oxo-nonanoate; Methyl 9-keto-nonanoate; 9-oxo-Nonanoic acid methyl ester; 9-keto-Nonanoic acid methyl ester
Formula: C10H18O3
Molar mass: 186.250 Da
Monoisotopic mass: 186.126 Da
SMILES: COC(=O)CCCCCCCC=O
InChI Key: JMLYDLZRFNYHHO-UHFFFAOYSA-N
InChI: 1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3
Typical retention indexes:
- ECL on BPX70: 17.042
- ECL on Wax: 14.459
- ECL on 5% phenyl: 11.063
- ECL on Rxi-1: 10.829
- KI on Wax: 2060
- KI on 5% phenyl: 1430
Names: 9-oxo-Nonanoic acid; 9-keto-Nonanoic acid
Formula: C9H16O3
Molar mass: 172.224 Da
SMILES: OC(=O)CCCCCCCC=O
InChI Key: WLGDDELKYAWBBL-UHFFFAOYSA-N
InChI: 1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)
Lipid Maps code: LMFA01060160
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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. |