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MOB-289 / 16:1 n-10, 7Me (a) / 7-methyl-6-Hexadecenoic acid ME (a)

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: 16.546
- ECL on BP20: 16.546
- ECL on SLB-IL61: 16.386
- ECL on SLB-IL82: 16.637
- ECL on SLB-IL100: 17.070

Additional information:
Two isomers (MOB-286 and MOB-289). See N.M. Carballeira et al., J. Nat. Prod. 59 (1996) 10761078.

Non-derivatized:

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)



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.