CAS Registry Number: 870842-23-2

Name:

1H-​Azepine-​1-​carboxylic acid, hexahydro-​3-​oxo-​, 1,​1-​dimethylethyl ester
tert-​Butyl 3-​oxoazepane-​1-​carboxylate 

Chemical Formula: C11H19NO3
Exact Mass: 213.14
Molecular Weight: 213.27
m/z: 213.14 (100.0%), 214.14 (12.2%), 215.14 (1.3%)

InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3
InChIKey: HMWANNJNYUPZPN-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCCCC(=O)C1

Specification

98%

1. (1) Mangion, Ian K.; Organic Letters 2009, V11(16), P3566-3569 CAPLUS