CAS Registry Number: 83621-33-4

Name:

1H-​Azepine-​1-​carboxylic acid, hexahydro-​4-​oxo-​, phenylmethyl ester
Benzyl 4-​oxo-​1-​azepanecarboxylate 

Chemical Formula: C14H17NO3
Exact Mass: 247.12
Molecular Weight: 247.29
m/z: 247.12 (100.0%), 248.12 (15.5%), 249.13 (1.7%)
Elemental Analysis: C, 68.00; H, 6.93; N, 5.66; O, 19.41

InChI: InChI=1S/C14H17NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKey: ORJQXZSDLARZBC-UHFFFAOYSA-N
Canonical SMILES : C1CC(=O)CCN(C1)C(=O)OCC2=CC=CC=C2

Specification

98%

PCT Int. Appl. (2010), WO 2010144571 A1 20101216.                                 

PCT Int. Appl. (2010), WO 2010114971 A1 20101007.