|
|
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: 19.941
- ECL on Wax: 18.263
- ECL on DB225: 17.893
- ECL on 5% phenyl: 15.254
- ECL on Rxi-1: 15.064
- KI on Wax: 2448
- KI on DB225: 2380
- KI on 5% phenyl: 1851
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. |