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SAN-243 / 9:0 / 9:0 |
Names: Methyl nonanate; Nonanoic acid methyl ester; Pelargonic acid methyl ester; Methyl pelargonate
Formula: C10H20O2
Molar mass: 172.267 Da
Monoisotopic mass: 172.146 Da
SMILES: CCCCCCCCC(=O)OC
InChI Key: IJXHLVMUNBOGRR-UHFFFAOYSA-N
InChI: 1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
Lipid Maps code: LMFA07010963
Typical retention indexes:
- ECL on BPX70: 9.000
- ECL on Wax: 9.000
- ECL on 5% phenyl: 9.000
- KI on Wax: 1495
- KI on 5% phenyl: 1224
Names: Nonanoic acid; Pelargonic acid
Formula: C9H18O2
Molar mass: 158.240 Da
SMILES: CCCCCCCCC(O)=O
InChI Key: FBUKVWPVBMHYJY-UHFFFAOYSA-N
InChI: 1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
ChEBI code: CHEBI:29019
Lipid Maps code: LMFA01010009
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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. |