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CAS Number: 188975-88-4
tert-butyl 4-oxoazepane-1-carboxylate

Structure

tert-butyl 4-oxoazepane-1-carboxylate
Name: tert-butyl 4-oxoazepane-1-carboxylate
Synonyms:
General Information
Product Number: 188975884

CAS Registry Number 188975-88-4
Name:
1H-​Azepine-​1-​carboxylic acid, hexahydro-​4-​oxo-​, 1,​1-​dimethylethyl ester
1,1-Dimethylethyl 4-oxohexahydro-1H-azepine-1-carboxylate
1-(tert-Butoxycarbonyl)-4-oxoazepane
1-(tert-Butoxycarbonyl)-4-oxoperhydroazepine
1-(tert-Butoxycarbonyl)hexahydroazepin-4-one
1-tert-Butoxycarbonylperhydroazepin-4-one

 

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)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3

InChI Key:PMLBUVZPRKXMOX-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCCC(=O)CC1

Specification

98%

References
  1. (1) Huang, Yun-Sheng; Industrial & Engineering Chemistry Research 2010, V49(23), P12164-12167 CAPLUS
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