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MOU-424 / 22:1 n-6 / c16-22:1

Names: Methyl (Z)-docos-16-enoate;  (Z)-Docos-16-enoic acid methyl ester;  (Z)-16-Docosenoic acid methyl ester;  16Z-Docosenoic acid methyl ester;  cis-16-Docosenoic acid methyl ester

Formula: C23H44O2

Molar mass: 352.599 Da

Monoisotopic mass: 352.334 Da

SMILES: CCCCC/C=C\CCCCCCCCCCCCCCC(=O)OC

InChI Key: OBVNLUXAEWLRAE-FPLPWBNLSA-N

InChI: 1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8H,3-6,9-22H2,1-2H3/b8-7-

Typical retention indexes:
- ECL on BPX70: 22.553

Non-derivatized:

Names: (Z)-Docos-16-enoic acid;  (Z)-16-Docosenoic acid;  16Z-Docosenoic acid;  cis-16-Docosenoic acid

Formula: C22H42O2

Molar mass: 338.573 Da

SMILES: CCCCC\C=C/CCCCCCCCCCCCCCC(O)=O

InChI Key: BNENIIHPQHIVJM-SREVYHEPSA-N

InChI: 1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7H,2-5,8-21H2,1H3,(H,23,24)/b7-6-



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.