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SAD-705 / 16:0 dME / Hexadecanedioic acid dMe |
Names: Dimethyl hexadecanedioate; Hexadecanedioic acid dimethyl ester
Formula: C18H34O4
Molar mass: 314.464 Da
Monoisotopic mass: 314.246 Da
SMILES: COC(=O)CCCCCCCCCCCCCCC(=O)OC
InChI Key: MQIZSSSBYFJIJF-UHFFFAOYSA-N
InChI: 1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 24.123
- ECL on Wax: 22.345
- ECL on DB225: 22.033
- ECL on 5% phenyl: 19.267
- ECL on Rxi-1: 19.076
- KI on Wax: 2868
- KI on DB225: 2812
- KI on 5% phenyl: 2255
Names: Hexadecanedioic acid; Thapsic acid
Formula: C16H30O4
Molar mass: 286.411 Da
SMILES: OC(=O)CCCCCCCCCCCCCCC(O)=O
InChI Key: QQHJDPROMQRDLA-UHFFFAOYSA-N
InChI: 1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
Lipid Maps code: LMFA01170022
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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. |