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CYC-220 / 9,10-cyclo-17:0 / cis-9,10-Methylenehexadecanoic acid ME |
Names: Methyl 8-[(1R)-2-hexylcyclopropyl]octanoate; Methyl 8-(2-hexylcyclopropyl)octanoate; 8-[(1R)-2-hexylcyclopropyl]octanoic acid methyl ester; 8-(2-hexylcyclopropyl)octanoic acid methyl ester; cis-9,10-Methylenehexadecanoic acid methyl ester
Formula: C18H34O2
Molar mass: 282.465 Da
Monoisotopic mass: 282.256 Da
SMILES: CCCCCCC1C[C@H]1CCCCCCCC(=O)OC
InChI Key: LQYIDOFTTFCXEO-ZYMOGRSISA-N
InChI: 1S/C18H34O2/c1-3-4-5-9-12-16-15-17(16)13-10-7-6-8-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3/t16?,17-/m1/s1
Typical retention indexes:
- ECL on BPX70: 17.434
- ECL on Wax: 17.281
- ECL on DB225: 17.214
- ECL on 5% phenyl: 16.856
- ECL on Rxi-1: 16.819
- KI on Wax: 2347
- KI on DB225: 2310
- KI on 5% phenyl: 2012
Names: 8-[(1R)-2-hexylcyclopropyl]octanoic acid; 8-(2-hexylcyclopropyl)octanoic acid; cis-9,10-Methylenehexadecanoic acid
Formula: C17H32O2
Molar mass: 268.439 Da
SMILES: CCCCCCC1C[C@H]1CCCCCCCC(O)=O
InChI Key: MUZYOAHCGSIXJH-OEMAIJDKSA-N
InChI: 1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15?,16-/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. |