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7-Chloro-2-oxo-1,2,3,5-tetrahydrobenzo[1,4]diazepine-4-carboxylic acid tert-butyl ester-[13C6]

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General Information
Catalog: BLP-006487
Molecular Formula: C8[13C]6H17ClN2O3
Molecular Weight: 302.71

Chemical Structure

Synonyms	[13C6]-7-Chloro-2-oxo-1,2,3,5-tetrahydrobenzo[1,4]diazepine-4-carboxylic acid tert-butyl ester; tert-butyl 7-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate-13C6
IUPAC Name	tert-butyl 7-chloro-2-oxo-1,2,3,5-tetrahydro-4H-benzo[e][1,4]diazepine-4-carboxylate-5a,6,7,8,9,9a-13C6
Related CAS	1226808-00-9 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Cl)NC(=O)C1
InChI	InChI=1S/C14H17ClN2O3/c1-14(2,3)20-13(19)17-7-9-6-10(15)4-5-11(9)16-12(18)8-17/h4-6H,7-8H2,1-3H3,(H,16,18)/i4+1,5+1,6+1,9+1,10+1,11+1
InChI Key	ORICBLUVZGJEFV-ZBEZWALCSA-N
Purity	≥98%; ≥99% atom 13C