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(5-(4-CHLOROPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID 6AZqjl1aGpm
InChI InChI=1S/C20H20ClN3O3/c1-20(2,3)27-19(26)24-17-18(25)22-15-7-5-4-6-14(15)16(23-17)12-8-10-13(21)11-9-12/h4-11,17H,1-3H3,(H,22,25)(H,24,26)
InChIKey HRDZAGAVEJOYPV-UHFFFAOYSA-N
Mol Weight 385.85 g/mol
Molecular Formula C20H20ClN3O3
Exact Mass 385.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qQQF2386GP
Name (5-(4-CHLOROPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20ClN3O3
InChI InChI=1S/C20H20ClN3O3/c1-20(2,3)27-19(26)24-17-18(25)22-15-7-5-4-6-14(15)16(23-17)12-8-10-13(21)11-9-12/h4-11,17H,1-3H3,(H,22,25)(H,24,26)
InChIKey HRDZAGAVEJOYPV-UHFFFAOYSA-N
Literature Reference Author A.NADIN,J.M.S.LOPEZ,A.P.OWENS,D.M.HOWELLS,A.C.TALBOT,T.HARRI SON
Literature Reference Citation J.ORG.CHEM.,68,2844(2003)
Literature Reference DOI 10.1021/jo026860a
Molecular Weight 385.850 g/mol
Solvent CDCl3
Source File Reference UWSI22738