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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 BP20: 14.678
- ECL on DB225: 14.705
- ECL on SLB-IL61: 14.733
- ECL on SLB-IL82: 14.752
- ECL on SLB-IL100: 14.783

Non-derivatized:

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



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.