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MOU-408 / 16:1 n-12 t / t4-16:1

Names: Methyl (E)-Hexadec-4-enoate;  (E)-Hexadec-4-enoic acid methyl ester;  (E)-4-Hexadecenoic acid methyl ester;  4E-Hexadecenoic acid methyl ester;  trans-4-Hexadecenoic acid methyl ester

Formula: C17H32O2

Molar mass: 268.439 Da

Monoisotopic mass: 268.240 Da

SMILES: CCCCCCCCCCC/C=C/CCC(=O)OC

InChI Key: VSQOWXZPURLKCU-BUHFOSPRSA-N

InChI: 1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-14H,3-12,15-16H2,1-2H3/b14-13+

Typical retention indexes:
- ECL on BPX70: 16.106

Non-derivatized:

Names: (E)-Hexadec-4-enoic acid;  (E)-4-Hexadecenoic acid;  4E-Hexadecenoic acid;  trans-4-Hexadecenoic acid

Formula: C16H30O2

Molar mass: 254.412 Da

SMILES: CCCCCCCCCCC\C=C\CCC(O)=O

InChI Key: OXGMPGKZDZPDIF-OUKQBFOZSA-N

InChI: 1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-13H,2-11,14-15H2,1H3,(H,17,18)/b13-12+



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.