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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: 22.027
- ECL on BP20: 20.301
- ECL on DB225: 19.952

Non-derivatized:

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



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.