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SAD-983 / 8:0 dME / Octanedioic acid dME |
Names: Dimethyl octanedioate; Octanedioic acid methyl ester; 1,8-Octanedioic acid methyl ester; Suberic acid methyl ester
Formula: C10H18O4
Molar mass: 202.250 Da
Monoisotopic mass: 202.121 Da
SMILES: COC(=O)CCCCCCC(=O)OC
InChI Key: LNLCRJXCNQABMV-UHFFFAOYSA-N
InChI: 1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 15.798
- ECL on Wax: 14.207
- ECL on 5% phenyl: 11.166
- ECL on Rxi-1: 10.934
- KI on Wax: 2034
- KI on 5% phenyl: 1440
Names: Octanedioic acid; 1,8-Octanedioic acid; Suberic acid
Formula: C8H14O4
Molar mass: 174.196 Da
SMILES: OC(=O)CCCCCCC(O)=O
InChI Key: TYFQFVWCELRYAO-UHFFFAOYSA-N
InChI: 1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
Lipid Maps code: LMFA01170001
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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. |