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CAS Number: 872624-48-1
isopropyl 7-bromo-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Structure

 isopropyl 7-bromo-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Name: isopropyl 7-bromo-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Synonyms:
General Information
Product Number: 872624481

CAS Registry Number 872624-48-1
Name:
1H-?1-?Benzazepine-?1-?carboxylic acid, 7-?bromo-?2,?3,?4,?5-?tetrahydro-?5-?oxo-?, 1-?methylethyl ester
Isopropyl 7-bromo-5-oxo-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

 

Chemical Formula: C14H16BrNO3
Exact Mass: 325.03
Molecular Weight: 326.19
m/z: 325.03 (100.0%), 327.03 (97.3%), 326.03 (15.5%), 328.03 (15.2%), 327.04 (1.7%), 329.04 (1.1%)

 

InChI:InChI=1S/C14H16BrNO3/c1-9(2)19-14(18)16-7-3-4-13(17)11-8-10(15)5-6-12(11)16/h5-6,8-9H,3-4,7H2,1-2H3

InChI Key:LXFPRXQEURERNM-UHFFFAOYSA-N

Canonical SMILES:CC(C)OC(=O)N1CCCC(=O)C2=C1C=CC(=C2)Br

Specification

98%
References

PCT Int. Appl. (2006), WO 2006002342 A1 20060105.                                  
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