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CYC-221 / 9,10-cyclo-19:0 / cis-9,10-Methyleneoctadecanoic acid ME |
Names: Methyl 8-[(1R)-2-octylcyclopropyl]octanoate; Methyl 8-(2-octylcyclopropyl)octanoate; 8-[(1R)-2-octylcyclopropyl]octanoic acid methyl ester; 8-(2-octylcyclopropyl)octanoic acid methyl ester; cis-9,10-Methyleneoctadecanoic acid methyl ester
Formula: C20H38O2
Molar mass: 310.519 Da
Monoisotopic mass: 310.287 Da
SMILES: CCCCCCCCC1C[C@H]1CCCCCCCC(=O)OC
InChI Key: WKDUVICSOMXTKJ-MUMRKEEXSA-N
InChI: 1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18?,19-/m1/s1
Typical retention indexes:
- ECL on BPX70: 19.389
- ECL on Wax: 19.247
- ECL on DB225: 19.184
- ECL on 5% phenyl: 18.828
- KI on Wax: 2549
- KI on DB225: 2514
- KI on 5% phenyl: 2211
Names: 8-[(1R)-2-octylcyclopropyl]octanoic acid; 8-(2-octylcyclopropyl)octanoic acid; cis-9,10-Methyleneoctadecanoic acid
Formula: C19H36O2
Molar mass: 296.492 Da
SMILES: CCCCCCCCC1C[C@H]1CCCCCCCC(O)=O
InChI Key: PDXZQLDUVAKMBQ-QRWMCTBCSA-N
InChI: 1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17?,18-/m1/s1
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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. |