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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: 24.139
- ECL on BP20: 22.349
- ECL on DB225: 22.033

Non-derivatized:

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



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.