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MOU-356 / 13:1 n-1 / 12-13:1 |
Names: Methyl tridec-12-enoate; Tridec-12-enoic acid methyl ester; 12-Tridecenoic acid methyl ester
Formula: C14H26O2
Molar mass: 226.358 Da
Monoisotopic mass: 226.193 Da
SMILES: C=CCCCCCCCCCCC(=O)OC
InChI Key: LCAVRNOMCURXMM-UHFFFAOYSA-N
InChI: 1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3H,1,4-13H2,2H3
Typical retention indexes:
- ECL on BPX70: 13.704
- ECL on Wax: 13.518
- ECL on 5% phenyl: 12.924
- ECL on Rxi-1: 12.855
- KI on Wax: 1965
- KI on 5% phenyl: 1618
Names: Tridec-12-enoic acid; 12-Tridecenoic acid
Formula: C13H24O2
Molar mass: 212.331 Da
SMILES: OC(=O)CCCCCCCCCCC=C
InChI Key: PARCICAYFORNPH-UHFFFAOYSA-N
InChI: 1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
Lipid Maps code: LMFA01030046
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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. |