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SOH-924 / ai-15:0-2OH / 2-Hydroxy-14-methyl-pentadecanoic acid ME

Names: Methyl 2-hydroxy-14-methyl-pentadecanoate;  2-Hydroxy-14-methyl-pentadecanoic acid methyl ester

Formula: C16H32O3

Molar mass: 272.427 Da

Monoisotopic mass: 272.235 Da

SMILES: CCC(C)CCCCCCCCCC(O)C(=O)OC

InChI Key: UYZDWBCFUFDHNG-UHFFFAOYSA-N

InChI: 1S/C16H32O3/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(17)16(18)19-3/h14-15,17H,4-13H2,1-3H3

Typical retention indexes:
- ECL on Wax: 18.640
- KI on Wax: 2487

Non-derivatized:

Name: 2-Hydroxy-14-methyl-pentadecanoic acid

Formula: C15H30O3

Molar mass: 258.400 Da

SMILES: CCC(C)CCCCCCCCCC(O)C(O)=O

InChI Key: XHURIJWJGYETQN-UHFFFAOYSA-N

InChI: 1S/C15H30O3/c1-3-13(2)11-9-7-5-4-6-8-10-12-14(16)15(17)18/h13-14,16H,3-12H2,1-2H3,(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.