|
|
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
Lipid Maps code: LMFA07010446
Typical retention indexes:
- ECL on BPX70: 8.000
- ECL on Wax: 8.000
- ECL on DB225: 8.000
- ECL on 5% phenyl: 8.000
- ECL on SLB-IL61: 8.000
- ECL on SLB-IL82: 8.000
- ECL on SLB-IL100: 8.000
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. |