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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: 16.840
- ECL on Wax: 15.220
- ECL on DB225: 14.810
- ECL on 5% phenyl: 12.215
- ECL on Rxi-1: 12.035
- KI on Wax: 2137
- KI on DB225: 2061
- KI on 5% phenyl: 1547
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
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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. |