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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: 17.379
- ECL on Wax: 16.652
- ECL on DB225: 15.572
- ECL on 5% phenyl: 13.444
- ECL on Rxi-1: 13.311
- KI on Wax: 2283
- KI on DB225: 2140
- KI on 5% phenyl: 1670
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
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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. |