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ALC-713 / Isophytol / 3,7,11,15-tetramethylhexadec-1-en-3-ol |
Names: 3,7,11,15-Tetramethyl-1-hexadecen-3-ol; 3,7,11,15-Tetramethylhexadec-1-en-3-ol; Isophytol ; 3,7,11,15-Tetramethylhexadec-1-en-3-ol
Formula: C20H40O
Molar mass: 296.535 Da
Monoisotopic mass: 296.308 Da
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N
InChI: 1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
Typical retention indexes:
- ECL on BPX70: 16.123
- ECL on Wax: 16.690
- ECL on DB225: 16.154
- ECL on 5% phenyl: 16.205
- KI on Wax: 2287
- KI on DB225: 2200
- KI on 5% phenyl: 1947
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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. |