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SAD-704 / 14:0 dME / Tetradecanedioic acid dMe |
Names: Dimethyl tetradecanedioate; Tetradecanedioic acid dimethyl ester
Formula: C16H30O4
Molar mass: 286.411 Da
Monoisotopic mass: 286.214 Da
SMILES: COC(=O)CCCCCCCCCCCCC(=O)OC
InChI Key: ZDJFDFNNEAPGOP-UHFFFAOYSA-N
InChI: 1S/C16H30O4/c1-19-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)20-2/h3-14H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 22.019
- ECL on Wax: 20.297
- ECL on DB225: 19.952
- ECL on 5% phenyl: 17.258
- ECL on Rxi-1: 17.069
- KI on Wax: 2657
- KI on DB225: 2594
- KI on 5% phenyl: 2053
Name: Tetradecanedioic acid
Formula: C14H26O4
Molar mass: 258.357 Da
SMILES: OC(=O)CCCCCCCCCCCCC(O)=O
InChI Key: HQHCYKULIHKCEB-UHFFFAOYSA-N
InChI: 1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
Lipid Maps code: LMFA01170018
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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. |