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SAB-911 / ai-11:0 / 8-Methyldecanoic acid ME

Names: Methyl 8-methyldecanoate;  8-Methyldecanoic acid methyl ester;  8-Methylcapric acid methyl ester

Formula: C12H24O2

Molar mass: 200.320 Da

Monoisotopic mass: 200.178 Da

SMILES: CCC(C)CCCCCCC(=O)OC

InChI Key: IGCINGTWMUZAIE-UHFFFAOYSA-N

InChI: 1S/C12H24O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h11H,4-10H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 10.717
- ECL on Wax: 10.675
- ECL on 5% phenyl: 10.711
- KI on Wax: 1672
- KI on 5% phenyl: 1395

Non-derivatized:

Names: 8-Methyldecanoic acid;  8-Methylcapric acid

Formula: C11H22O2

Molar mass: 186.294 Da

SMILES: CCC(C)CCCCCCC(O)=O

InChI Key: WGKCPRZDCLXOIQ-UHFFFAOYSA-N

InChI: 1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)

Lipid Maps code: LMFA01020187



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.