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SAD-691 / 9:0 dME / Nonanedioic acid dME

Names: Dimethyl nonanedioate;  Nonanedioic acid dimethyl ester;  Azelaic acid dimethyl ester;  Dimethyl azelate

Formula: C11H20O4

Molar mass: 216.277 Da

Monoisotopic mass: 216.136 Da

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

InChI Key: DRUKNYVQGHETPO-UHFFFAOYSA-N

InChI: 1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 16.869
- ECL on BP20: 15.224
- ECL on DB225: 14.810

Non-derivatized:

Names: Nonanedioic acid;  Azelaic acid

Formula: C9H16O4

Molar mass: 188.223 Da

SMILES: OC(=O)CCCCCCCC(O)=O

InChI Key: BDJRBEYXGGNYIS-UHFFFAOYSA-N

InChI: 1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

Lipid Maps code: LMFA01170054



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.