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MOU-870 / 26:1 n-11 / c15-26:1 |
Names: Methyl (Z)-hexacos-15-enoate; (Z)-Hexacos-15-enoic acid methyl ester; (Z)-15-Hexacosenoic acid methyl ester; 15Z-Hexacosenoic acid methyl ester; cis-15-Hexacosenoic acid methyl ester
Formula: C27H52O2
Molar mass: 408.707 Da
Monoisotopic mass: 408.397 Da
SMILES: CCCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC
InChI Key: IUMWUADNULHESK-SEYXRHQNSA-N
InChI: 1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h12-13H,3-11,14-26H
Typical retention indexes:
- ECL on BPX70: 26.342
- ECL on Wax: 26.170
- ECL on 5% phenyl: 25.705
- KI on 5% phenyl: 2903
Names: (Z)-Hexacos-15-enoic acid; (Z)-15-Hexacosenoic acid; 15Z-Hexacosenoic acid; cis-15-Hexacosenoic acid
Formula: C26H50O2
Molar mass: 394.680 Da
SMILES: CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
InChI Key: ALQCJXNGZHBRNR-QXMHVHEDSA-N
InChI: 1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h11-12H,2-10,13-25H2,1
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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. |