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CAS Number: 1055880-27-7
tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

Structure

 tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate
Name: tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate
Synonyms:
General Information
Product Number: 1055880277

CAS Registry Number 1055880-27-7
Name:
1,?4-?Benzoxazepine-?4(5H)?-?carboxylic acid, 9-?bromo-?2,?3-?dihydro-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C14H18BrNO3
Exact Mass: 327.05
Molecular Weight: 328.20
m/z: 327.05 (100.0%), 329.04 (97.3%), 328.05 (15.5%), 330.05 (15.1%), 329.05 (1.8%), 331.05 (1.7%)

 

InChI:InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-7-8-18-12-10(9-16)5-4-6-11(12)15/h4-6H,7-9H2,1-3H3

InChI Key:UVAMFEMOEAGDTN-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCOC2=C(C1)C=CC=C2Br

Specification

98%
References
  1. (1) Demont, Emmanuel H.; Journal of Medicinal Chemistry 2011, V54(19), P6724-6733 CAPLUS
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