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SAB-324 / 4,8,12-Me 13:0 / 4,8,12-Trimethyltridecanoic acid ME |
Names: Methyl 4,8,12-trimethyltridecanoate; 4,8,12-Trimethyltridecanoic acid methyl ester
Formula: C17H34O2
Molar mass: 270.454 Da
Monoisotopic mass: 270.256 Da
SMILES: CC(C)CCCC(C)CCCC(C)CCC(=O)OC
InChI Key: UQMZQVKOCCCWIL-UHFFFAOYSA-N
InChI: 1S/C17H34O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17(18)19-5/h14-16H,6-13H2,1-5H3
Typical retention indexes:
- ECL on BPX70: 14.010
- ECL on Wax: 14.082
- ECL on 5% phenyl: 14.504
- ECL on SLB-IL61: 14.208
- ECL on SLB-IL82: 14.108
- ECL on SLB-IL100: 14.076
- KI on Wax: 2021
- KI on 5% phenyl: 1776
Name: 4,8,12-Trimethyltridecanoic acid
Formula: C16H32O2
Molar mass: 256.428 Da
SMILES: CC(C)CCCC(C)CCCC(C)CCC(O)=O
InChI Key: FUYCAQNCWDAOLQ-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
Lipid Maps code: LMFA01020249
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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. |