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MOU-456 / 26:1 n-7 / c19-26:1

Names: Methyl (Z)-hexacos-19-enoate;  (Z)-Hexacos-19-enoic acid methyl ester;  (Z)-19-Hexacosenoic acid methyl ester;  19Z-Hexacosenoic acid methyl ester;  cis-19-Hexacosenoic acid methyl ester

Formula: C27H52O2

Molar mass: 408.707 Da

Monoisotopic mass: 408.397 Da

SMILES: CCCCCC/C=C\CCCCCCCCCCCCCCCCCC(=O)OC

InChI Key: NQMAYSSBSGBGBU-HJWRWDBZSA-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/h8-9H,3-7,10-26H2,1-2H3/b9-8-

Typical retention indexes:
- ECL on BPX70: 26.516

Non-derivatized:

Names: (Z)-Hexacos-19-enoic acid;  (Z)-19-Hexacosenoic acid;  19Z-Hexacosenoic acid;  cis-19-Hexacosenoic acid

Formula: C26H50O2

Molar mass: 394.680 Da

SMILES: CCCCCC\C=C/CCCCCCCCCCCCCCCCCC(O)=O

InChI Key: YWZPXTOREXGTBW-FPLPWBNLSA-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/h7-8H,2-6,9-25H2,1H3,(H,27,28)/b8-7-



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.