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MOU-417 / 20:1 n-4 / c16-20:1

Names: Methyl (Z)-icos-16-enoate;  (Z)-Icos-16-enoic acid methyl ester;  (Z)-16-Icosenoic acid methyl ester;  16Z-Icosenoic acid methyl ester;  cis-16-Icosenoic acid methyl ester;  Methyl (Z)-eicos-16-enoate;  (Z)-Eicos-16-enoic acid methyl ester;  (Z)-16-Eicosenoic acid methyl ester;  16Z-Eicosenoic acid methyl ester;  cis-16-Eicosenoic acid methyl ester

Formula: C21H40O2

Molar mass: 324.546 Da

Monoisotopic mass: 324.303 Da

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

InChI Key: MOEODHOYMUEFPO-WAYWQWQTSA-N

InChI: 1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h5-6H,3-4,7-20H2,1-2H3/b6-5-

Typical retention indexes:
- ECL on BPX70: 20.689

Non-derivatized:

Names: (Z)-Icos-16-enoic acid;  (Z)-16-Icosenoic acid;  16Z-Icosenoic acid;  cis-16-Icosenoic acid;  (Z)-Eicos-16-enoic acid;  (Z)-16-Eicosenoic acid;  16Z-Eicosenoic acid;  cis-16-Eicosenoic acid

Formula: C20H38O2

Molar mass: 310.519 Da

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

InChI Key: NSGWRVBQRUTMPS-PLNGDYQASA-N

InChI: 1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5H,2-3,6-19H2,1H3,(H,21,22)/b5-4-



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.