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SAB-912 / i-10:0 / 8-Methylnonanoic acid ME |
Names: Methyl 8-methylnonanoate; 8-Methylnonanoic acid methyl ester; Isodecanoic acid methyl ester
Formula: C11H22O2
Molar mass: 186.294 Da
Monoisotopic mass: 186.162 Da
SMILES: CC(C)CCCCCCC(=O)OC
InChI Key: UXZNAWMXEJTQCC-UHFFFAOYSA-N
InChI: 1S/C11H22O2/c1-10(2)8-6-4-5-7-9-11(12)13-3/h10H,4-9H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 9.544
- ECL on Wax: 9.551
- ECL on 5% phenyl: 9.640
- KI on Wax: 1554
- KI on 5% phenyl: 1287
Names: 8-Methylnonanoic acid; Isodecanoic acid
Formula: C10H20O2
Molar mass: 172.267 Da
SMILES: CC(C)CCCCCCC(O)=O
InChI Key: OAOABCKPVCUNKO-UHFFFAOYSA-N
InChI: 1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
Lipid Maps code: LMFA01020247
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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. |