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SAN-001 / 8:0 / 8:0

Names: Methyl octanoate;  Octanoic acid methyl ester

Formula: C9H18O2

Molar mass: 158.240 Da

Monoisotopic mass: 158.131 Da

SMILES: CCCCCCCC(=O)OC

InChI Key: JGHZJRVDZXSNKQ-UHFFFAOYSA-N

InChI: 1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 8.000
- ECL on BP20: 8.000
- ECL on DB225: 8.000
- ECL on SLB-IL61: 8.000
- ECL on SLB-IL82: 8.000
- ECL on SLB-IL100: 8.000

Non-derivatized:

Names: Octanoic acid;  Caprylic acid methyl ester;  Methyl caprylate;  Caprylic acid

Formula: C8H16O2

Molar mass: 144.213 Da

SMILES: CCCCCCCC(O)=O

InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N

InChI: 1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

ChEBI code: CHEBI:28837

Lipid Maps code: LMFA01010008



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.