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SOH-923 / i-16:0-2OH / 2-Hydroxy-15-methyl-hexadecanoic acid ME

Names: Methyl 2-hydroxy-14-methylpentadecanoate;  2-Hydroxy-14-methylpentadecanoic acid methyl ester

Formula: C17H34O3

Molar mass: 286.454 Da

Monoisotopic mass: 286.251 Da

SMILES: CC(C)CCCCCCCCCCCC(O)C(=O)OC

InChI Key: GRUVIVLXHCWYIO-UHFFFAOYSA-N

InChI: 1S/C17H34O3/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(18)17(19)20-3/h15-16,18H,4-14H2,1-3H3

Typical retention indexes:
- ECL on Wax: 19.499
- KI on Wax: 2575

Non-derivatized:

Name: 2-Hydroxy-14-methylpentadecanoic acid

Formula: C16H32O3

Molar mass: 272.427 Da

SMILES: CC(C)CCCCCCCCCCCC(O)C(O)=O

InChI Key: RZHOIKRKYSDMSL-UHFFFAOYSA-N

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



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.