|
|
ART-739 / Isobutyl phthalate / Phthalic acid, diisobutyl ester |
Name: bis(2-methylpropyl) benzene-1,2-dicarboxylate
Formula: C16H22O4
Molar mass: 278.347 Da
Monoisotopic mass: 278.152 Da
SMILES: CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N
InChI: 1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 21.363
- ECL on Wax: 19.058
- KI on Wax: 2530
|
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. |