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OTH-681 / C16H22O4 / Dibutyl phthalate |
Names: Dibutyl benzene-1,2-dicarboxylate; Phthalic acid dibutyl ester; Dibutylphthalate
Formula: C16H22O4
Molar mass: 278.347 Da
Monoisotopic mass: 278.152 Da
SMILES: CCCCOC(=O)c1ccccc1C(=O)OCCCC
InChI Key: DOIRQSBPFJWKBE-UHFFFAOYSA-N
InChI: 1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 23.133
- ECL on Wax: 20.511
- ECL on DB225: 20.306
- ECL on 5% phenyl: 16.389
- KI on Wax: 2679
- KI on DB225: 2631
- KI on 5% phenyl: 1965
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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. |