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SAB-077 / ai-15:0 / 12-Methyltetradecanoic acid ME |
Names: Methyl 12-methyltetradecanoate; 12-Methyltetradecanoic acid methyl ester; 12-Methylmyristic acid methyl ester; Methyl 12-methylmyristate; Anteisopentadecanoic acid methyl ester; Sarcinic acid methyl ester
Formula: C16H32O2
Molar mass: 256.428 Da
Monoisotopic mass: 256.240 Da
SMILES: CCC(C)CCCCCCCCCCC(=O)OC
InChI Key: BJIUDNXPLSJWKE-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 14.711
- ECL on Wax: 14.678
- ECL on DB225: 14.705
- ECL on 5% phenyl: 14.714
- ECL on SLB-IL61: 14.733
- ECL on SLB-IL82: 14.752
- ECL on SLB-IL100: 14.783
- KI on Wax: 2082
- KI on DB225: 2050
- KI on 5% phenyl: 1797
Names: 12-Methyltetradecanoic acid; 12-Methylmyristic acid; Anteisopentadecanoic acid; Sarcinic acid
Formula: C15H30O2
Molar mass: 242.401 Da
SMILES: CCC(C)CCCCCCCCCCC(O)=O
InChI Key: XKLJLHAPJBUBNL-UHFFFAOYSA-N
InChI: 1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
ChEBI code: CHEBI:39251
Lipid Maps code: LMFA01020008
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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. |