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Specification
The molecular formula of Ethyl 4-phenylbenzoylformate is C16H14O3.
The molecular weight of Ethyl 4-phenylbenzoylformate is 254.28 g/mol.
The IUPAC name of Ethyl 4-phenylbenzoylformate is ethyl 2-oxo-2-(4-phenylphenyl)acetate.
The InChI of Ethyl 4-phenylbenzoylformate is InChI=1S/C16H14O3/c1-2-19-16(18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
The InChIKey of Ethyl 4-phenylbenzoylformate is JSNHSBCQHIQENB-UHFFFAOYSA-N.
The canonical SMILES of Ethyl 4-phenylbenzoylformate is CCOC(=O)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2.
The CAS number of Ethyl 4-phenylbenzoylformate is 6244-53-7.
There are 0 hydrogen bond donor counts in Ethyl 4-phenylbenzoylformate.
The exact mass of Ethyl 4-phenylbenzoylformate is 254.094294304 g/mol.
Yes, the compound is canonicalized.