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MOU-415 / 20:1 n-8 / c12-20:1

Names: Methyl (Z)-icos-12-enoate;  (Z)-Icos-12-enoic acid methyl ester;  (Z)-12-Icosenoic acid;  12Z-Icosenoic acid;  cis-12-Icosenoic acid;  Methyl (Z)-eicos-12-enoate;  (Z)-Eicos-12-enoic acid methyl ester;  (Z)-12-Eicosenoic acid;  12Z-Eicosenoic acid;  cis-12-Eicosenoic acid

Formula: C21H40O2

Molar mass: 324.546 Da

Monoisotopic mass: 324.303 Da

SMILES: CCCCCCC/C=C\CCCCCCCCCCC(=O)OC

InChI Key: ASDWZPFNRWEQPR-KTKRTIGZSA-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/h9-10H,3-8,11-20H2,1-2H3/b10-9-

Typical retention indexes:
- ECL on BPX70: 20.429

Non-derivatized:

Names: (Z)-Icos-12-enoic acid;  (Z)-12-Icosenoic acid;  12Z-Icosenoic acid;  cis-12-Icosenoic acid;  (Z)-Eicos-12-enoic acid;  (Z)-12-Eicosenoic acid;  12Z-Eicosenoic acid;  cis-12-Eicosenoic acid

Formula: C20H38O2

Molar mass: 310.519 Da

SMILES: CCCCCCC\C=C/CCCCCCCCCCC(O)=O

InChI Key: NCSORJRFQDBVHT-HJWRWDBZSA-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/h8-9H,2-7,10-19H2,1H3,(H,21,22)/b9-8-



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.