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MOU-426 / 18:1 n-5 t / t13-18:1

Names: Methyl octadec-13-enoate;  (E)-Octadec-13-enoic acid;  (E)-13-Octadecenoic acid;  13E-Octadecenoic acid;  trans-13-Octadecenoic acid

Formula: C19H36O2

Molar mass: 296.492 Da

Monoisotopic mass: 296.272 Da

SMILES: CCCC/C=C/CCCCCCCCCCCC(=O)OC

InChI Key: OPLQDSJPOHPOSZ-VOTSOKGWSA-N

InChI: 1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-7H,3-5,8-18H2,1-2H3/b7-6+

Typical retention indexes:
- ECL on BPX70: 18.368

Non-derivatized:

Names: (E)-Octadec-13-enoic acid;  (E)-13-Octadecenoic acid;  13E-Octadecenoic acid;  trans-13-Octadecenoic acid

Formula: C18H34O2

Molar mass: 282.465 Da

SMILES: CCCC\C=C\CCCCCCCCCCCC(O)=O

InChI Key: BDLLSHRIFPDGQB-AATRIKPKSA-N

InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+



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.