|
|
MOU-436 / 17:1 n-8 / c9-17:1 |
Names: Methyl (Z)-heptadec-9-enoate; (Z)-Heptadec-9-enoic acid methyl ester; (Z)-9-Heptadecenoic acid methyl ester; 9Z-Heptadecenoic acid methyl ester; cis-9-Heptadecenoic acid methyl ester
Formula: C18H34O2
Molar mass: 282.465 Da
Monoisotopic mass: 282.256 Da
SMILES: CCCCCCC/C=C\CCCCCCCC(=O)OC
InChI Key: GTSDEAFDHYYGKM-KTKRTIGZSA-N
InChI: 1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h9-10H,3-8,11-17H2,1-2H3/b10-9-
Typical retention indexes:
- ECL on BPX70: 17.433
- ECL on Wax: 17.221
- ECL on DB225: 17.195
- ECL on 5% phenyl: 16.765
- ECL on SLB-IL61: 17.167
- ECL on SLB-IL82: 17.494
- ECL on SLB-IL100: 17.616
- KI on Wax: 2341
- KI on DB225: 2308
- KI on 5% phenyl: 2003
Names: (Z)-heptadec-9-enoic acid; (Z)-9-Heptadecenoic acid; 9Z-Heptadecenoic acid; cis-9-Heptadecenoic acid
Formula: C17H32O2
Molar mass: 268.439 Da
SMILES: CCCCCCC\C=C/CCCCCCCC(O)=O
InChI Key: QSBYPNXLFMSGKH-HJWRWDBZSA-N
InChI: 1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8-
Lipid Maps code: LMFA01030060
|
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. |