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MOB-286 / 16:1 n-10, 7Me (b) / 7-methyl-6-Hexadecenoic acid ME (b) |
Names: Methyl 7-Methylhexadec-6-enoate; 7-Methylhexadec-6-enoic acid methyl ester; 7-Methyl-6-hexadecenoic acid methyl ester
Formula: C18H34O2
Molar mass: 282.465 Da
Monoisotopic mass: 282.256 Da
SMILES: CCCCCCCCCC(C)=CCCCCC(OC)=O
InChI Key: OQDOMEGWVNDDSV-UHFFFAOYSA-N
InChI: 1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 16.904
- ECL on Wax: 16.889
- ECL on 5% phenyl: 16.547
- ECL on SLB-IL61: 16.746
- ECL on SLB-IL82: 17.002
- ECL on SLB-IL100: 17.418
- KI on Wax: 2307
- KI on 5% phenyl: 1981
Additional information:
Two isomers (MOB-286 and MOB-289). See N.M. Carballeira et al., J. Nat. Prod. 59 (1996) 1076-1078.
Names: 7-Methylhexadec-6-enoic acid; 7-Methyl-6-hexadecenoic acid
Formula: C17H32O2
Molar mass: 268.439 Da
SMILES: CCCCCCCCCC(C)=CCCCCC(O)=O
InChI Key: DINXWFVSXJCVPK-UHFFFAOYSA-N
InChI: 1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(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. |