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(5-(4-(TRIFLUOROMETHYL)-PHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER

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(5-(4-(TRIFLUOROMETHYL)-PHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID BiYCQ4NNKoD
InChI InChI=1S/2C21H20F3N3O3/c2*1-20(2,3)30-19(29)27-17-18(28)25-15-7-5-4-6-14(15)16(26-17)12-8-10-13(11-9-12)21(22,23)24/h2*4-11,17H,1-3H3,(H,25,28)(H,27,29)
InChIKey DVKPYHLZDSSVKC-UHFFFAOYSA-N
Mol Weight 838.81 g/mol
Molecular Formula C42H40F6N6O6
Exact Mass 838.291352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IM0ZQSU3aNN
Name (5-(4-(TRIFLUOROMETHYL)-PHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40F6N6O6
InChI InChI=1S/2C21H20F3N3O3/c2*1-20(2,3)30-19(29)27-17-18(28)25-15-7-5-4-6-14(15)16(26-17)12-8-10-13(11-9-12)21(22,23)24/h2*4-11,17H,1-3H3,(H,25,28)(H,27,29)
InChIKey DVKPYHLZDSSVKC-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 838.807 g/mol
Solvent CDCl3
Source File Reference UWSI22745