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SAD-706 / 18:0 dME / Octadecanedioic acid dMe

Names: Dimethyl octadecanedioate;  Octadecanedioic acid dimethyl ester

Formula: C20H38O4

Molar mass: 342.518 Da

Monoisotopic mass: 342.277 Da

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

InChI Key: ZOXMHKCFDXHCJX-UHFFFAOYSA-N

InChI: 1S/C20H38O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-18H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 26.274
- ECL on BP20: 24.404
- ECL on DB225: 24.123

Non-derivatized:

Name: Octadecanedioic acid

Formula: C18H34O4

Molar mass: 314.464 Da

SMILES: OC(=O)CCCCCCCCCCCCCCCCC(O)=O

InChI Key: BNJOQKFENDDGSC-UHFFFAOYSA-N

InChI: 1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

Lipid Maps code: LMFA01170029



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.