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SOH-223 / 12:0-3OH / 3-Hydroxydodecanoic acid ME

Names: Methyl 3-hydroxydodecanoate;  3-Hydroxydodecanoic acid methyl ester;  3-Hydroxylauric acid methyl ester

Formula: C13H26O3

Molar mass: 230.347 Da

Monoisotopic mass: 230.188 Da

SMILES: CCCCCCCCCC(O)CC(=O)OC

InChI Key: OZXCINYANGIBDB-UHFFFAOYSA-N

InChI: 1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 17.391
- ECL on BP20: 16.654
- ECL on DB225: 15.572

Non-derivatized:

Names: 3-Hydroxydodecanoic acid;  3-Hydroxylauric acid

Formula: C12H24O3

Molar mass: 216.320 Da

SMILES: CCCCCCCCCC(O)CC(O)=O

InChI Key: MUCMKTPAZLSKTL-UHFFFAOYSA-N

InChI: 1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

ChEBI code: CHEBI:36206

Lipid Maps code: LMFA01050037



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.