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DIU-546 / 19:2 n-6 tc / t10,c13-19:2 |
Names: Methyl (10E,13Z)-nonadeca-10,13-dienoate; (10E,13Z)-Nonadeca-10,13-dienoic acid methyl ester; (E,Z)-10,13-Nonadecadienoic acid methyl ester; 10E,13Z-Nonadecadienoic acid methyl ester; cis-10, trans-13-Nonadecadienoic acid methyl ester
Formula: C20H36O2
Molar mass: 308.503 Da
Monoisotopic mass: 308.272 Da
SMILES: CCCCC\C=C/C\C=C\CCCCCCCCC(=O)OC
InChI Key: ONAXJAJXYOYNTA-QEFCTBRHSA-N
InChI: 1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10+
Typical retention indexes:
- ECL on BPX70: 19.961
Names: (10E,13Z)-Nonadeca-10,13-dienoic acid; (E,Z)-10,13-Nonadecadienoic acid; 10E,13Z-Nonadecadienoic acid; trans-10, cis-13-Nonadecadienoic acid
Formula: C19H34O2
Molar mass: 294.476 Da
SMILES: CCCCC\C=C/C/C=C/CCCCCCCCC(O)=O
InChI Key: FLYBGKXSHCVONZ-IXWMQOLASA-N
InChI: 1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6-,10-9+
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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. |