|
|
SAN-004 / 13:0 / 13:0 |
Names: Methyl tridecanoate; Tridecanoic acid methyl ester
Formula: C14H28O2
Molar mass: 228.374 Da
Monoisotopic mass: 228.209 Da
SMILES: CCCCCCCCCCCCC(=O)OC
InChI Key: JNDDPBOKWCBQSM-UHFFFAOYSA-N
InChI: 1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 13.000
- ECL on Wax: 13.000
- ECL on DB225: 13.000
- ECL on 5% phenyl: 13.000
- ECL on Rxi-1: 13.000
- KI on Wax: 1914
- KI on DB225: 1879
- KI on 5% phenyl: 1626
Name: Tridecanoic acid
Formula: C13H26O2
Molar mass: 214.347 Da
SMILES: CCCCCCCCCCCCC(O)=O
InChI Key: SZHOJFHSIKHZHA-UHFFFAOYSA-N
InChI: 1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
ChEBI code: CHEBI:45919
Lipid Maps code: LMFA01010013
|
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. |