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OTH-869 / 16:1 n-11, 2-Methoxy / 2-methoxy-5-Hexadecenoic acid ME |
Names: Methyl (5Z)-2-methoxy-5-hexadecenoate; 2-methoxy-5-Hexadecenoic acid methyl ester
Formula: C18H34O3
Molar mass: 298.465 Da
Monoisotopic mass: 298.251 Da
SMILES: CCCCCCCCCCC=CCCC(C(=O)OC)OC
InChI Key: CTVWZQNQTIGFBN-UHFFFAOYSA-N
InChI: 1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h13-14,17H,4-12,15-16H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 18.325
- ECL on Wax: 17.949
- ECL on 5% phenyl: 16.894
- KI on Wax: 2416
- KI on 5% phenyl: 2016
Names: 2-methoxy-5-Hexadecenoic acid; (5Z)-2-Methoxy-5-hexadecenoic acid
Formula: C17H32O3
Molar mass: 284.438 Da
SMILES: CCCCCCCCCCC=CCCC(OC)C(O)=O
InChI Key: IZQFBIOUXQEERU-UHFFFAOYSA-N
InChI: 1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)
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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. |