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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

Typical retention indexes:
- ECL on BPX70: 9.000
- ECL on BP20: 9.000

Non-derivatized:

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



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.