www.chrombox.org

SAD-703 / 12:0 dME / Dodecanedioic acid dME

Names: Dimethyl dodecanedioate;  Dodecanedioic acid dimethyl ester

Formula: C14H26O4

Molar mass: 258.357 Da

Monoisotopic mass: 258.183 Da

SMILES: COC(=O)CCCCCCCCCCC(=O)OC

InChI Key: IZMOTZDBVPMOFE-UHFFFAOYSA-N

InChI: 1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 19.942
- ECL on BP20: 18.267
- ECL on DB225: 17.893

Non-derivatized:

Name: Dodecanedioic acid

Formula: C12H22O4

Molar mass: 230.303 Da

SMILES: OC(=O)CCCCCCCCCCC(O)=O

InChI Key: TVIDDXQYHWJXFK-UHFFFAOYSA-N

InChI: 1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)

Lipid Maps code: LMFA01170009



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.