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SAN-218 / 11:0 / 11:0 |
Names: Methyl Undecanoate; Undecanoic acid methyl ester
Formula: C12H24O2
Molar mass: 200.320 Da
Monoisotopic mass: 200.178 Da
SMILES: CCCCCCCCCCC(=O)OC
InChI Key: XPQPWPZFBULGKT-UHFFFAOYSA-N
InChI: 1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 11.000
- ECL on Wax: 11.000
- ECL on DB225: 11.000
- ECL on 5% phenyl: 11.000
- ECL on Rxi-1: 11.000
- KI on Wax: 1706
- KI on 5% phenyl: 1424
Name: Undecanoic acid
Formula: C11H22O2
Molar mass: 186.294 Da
SMILES: CCCCCCCCCCC(O)=O
InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N
InChI: 1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
ChEBI code: CHEBI:32368
Lipid Maps code: LMFA01010011
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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. |