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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 BP20: 13.000
- ECL on DB225: 13.000

Non-derivatized:

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.