|
|
SAB-836 / Bra-16:0 (10Me) / 10-Methylpentadecanoic acid ME |
Names: Methyl 10-methylpentadecanoate; 10-Methylpentadecanoic acid methyl ester
Formula: C17H34O2
Molar mass: 270.454 Da
Monoisotopic mass: 270.256 Da
SMILES: CCCCCC(C)CCCCCCCCC(=O)OC
InChI Key: VHJBHRYLKLWLOO-UHFFFAOYSA-N
InChI: 1S/C17H34O2/c1-4-5-10-13-16(2)14-11-8-6-7-9-12-15-17(18)19-3/h16H,4-15H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 15.326
- ECL on Wax: 15.354
- ECL on 5% phenyl: 15.472
- KI on Wax: 2151
- KI on 5% phenyl: 1873
Name: 10-Methylpentadecanoic acid
Formula: C16H32O2
Molar mass: 256.428 Da
SMILES: CCCCCC(C)CCCCCCCCC(O)=O
InChI Key: NVTVTYLZCCBKQU-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-3-4-9-12-15(2)13-10-7-5-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
|
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. |