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SAB-324 / 4,8,12-Me 13:0 / 4,8,12-trimethyl tridecanoic acid

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: 14.008
- ECL on BP20: 14.083
- ECL on SLB-IL61: 14.208
- ECL on SLB-IL82: 14.108
- ECL on SLB-IL100: 14.076

Non-derivatized:

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



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.