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OTH-216 / DEHP / Bis(2-ethylhexyl) phthalate |
Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Formula: C24H38O4
Molar mass: 390.562 Da
Monoisotopic mass: 390.277 Da
SMILES: CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N
InChI: 1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
ChEBI code: CHEBI:17747
Typical retention indexes:
- ECL on Wax: 25.202
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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. |