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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: 26.248
- ECL on Wax: 24.399
- ECL on DB225: 24.123
- ECL on 5% phenyl: 21.276
- ECL on Rxi-1: 21.089
- KI on 5% phenyl: 2457
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
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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. |