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The molecular formula is C13H17NO3.
The molecular weight is 235.28 g/mol.
The IUPAC name is tert-butyl N-[(4-formylphenyl)methyl]carbamate.
The InChI of tert-Butyl N-(4-formylbenzyl)carbamate is: InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16).
The InChIKey is HRJJBEIFHFVBRT-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O.
The CAS number is 156866-52-3.
The European Community (EC) number is 690-683-7.
The DSSTox Substance ID is DTXSID50935550.
Yes, tert-Butyl N-(4-formylbenzyl)carbamate is canonicalized.
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