|
|
SOH-948 / 17:0-10OH / 10-Hydroxyheptadecanoic acid ME |
Names: Methyl 10-hydroxyheptadecanoate; 10-Hydroxyheptadecanoic acid methyl ester
Formula: C18H36O3
Molar mass: 300.481 Da
Monoisotopic mass: 300.266 Da
SMILES: CCCCCCCC(O)CCCCCCCCC(=O)OC
InChI Key: PPYPYQGUNXIKRM-UHFFFAOYSA-N
InChI: 1S/C18H36O3/c1-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21-2/h17,19H,3-16H2,1-2H3
Typical retention indexes:
- ECL on Wax: 22.795
- KI on Wax: 2914
Name: 10-Hydroxyheptadecanoic acid
Formula: C17H34O3
Molar mass: 286.454 Da
SMILES: CCCCCCCC(O)CCCCCCCCC(O)=O
InChI Key: JMZRRERXMQJFTI-UHFFFAOYSA-N
InChI: 1S/C17H34O3/c1-2-3-4-7-10-13-16(18)14-11-8-5-6-9-12-15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
|
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. |