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(5-(5-QUINOLYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID Dpny2v9BHYd
InChI InChI=1S/2C23H22N4O3/c2*1-23(2,3)30-22(29)27-20-21(28)25-18-11-7-5-9-16(18)19(26-20)15-12-13-24-17-10-6-4-8-14(15)17/h2*4-13,20H,1-3H3,(H,25,28)(H,27,29)
InChIKey CYSJZJPCHVSURI-UHFFFAOYSA-N
Mol Weight 804.91 g/mol
Molecular Formula C46H44N8O6
Exact Mass 804.338381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtGPsDNgyHi
Name (5-(5-QUINOLYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H44N8O6
InChI InChI=1S/2C23H22N4O3/c2*1-23(2,3)30-22(29)27-20-21(28)25-18-11-7-5-9-16(18)19(26-20)15-12-13-24-17-10-6-4-8-14(15)17/h2*4-13,20H,1-3H3,(H,25,28)(H,27,29)
InChIKey CYSJZJPCHVSURI-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 804.905 g/mol
Solvent CDCl3
Source File Reference UWSI22739