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SAN-218 / 11:0 / 11:0

Names: Methyl Undecanoate;  Undecanoic acid methyl ester

Formula: C12H24O2

Molar mass: 200.320 Da

Monoisotopic mass: 200.178 Da

SMILES: CCCCCCCCCCC(=O)OC

InChI Key: XPQPWPZFBULGKT-UHFFFAOYSA-N

InChI: 1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 11.000
- ECL on BP20: 11.000
- ECL on DB225: 11.000

Non-derivatized:

Name: Undecanoic acid

Formula: C11H22O2

Molar mass: 186.294 Da

SMILES: CCCCCCCCCCC(O)=O

InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N

InChI: 1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

ChEBI code: CHEBI:32368

Lipid Maps code: LMFA01010011



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.