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(5-(3,4-METHYLENEDIOXYPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID 71vVtHDEWae
InChI InChI=1S/C21H21N3O5/c1-21(2,3)29-20(26)24-18-19(25)22-14-9-5-4-7-12(14)16(23-18)13-8-6-10-15-17(13)28-11-27-15/h4-10,18H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKey RGRAIVMVCYCCQE-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlgOcwriBhE
Name (5-(3,4-METHYLENEDIOXYPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N3O5
InChI InChI=1S/C21H21N3O5/c1-21(2,3)29-20(26)24-18-19(25)22-14-9-5-4-7-12(14)16(23-18)13-8-6-10-15-17(13)28-11-27-15/h4-10,18H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKey RGRAIVMVCYCCQE-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 395.415 g/mol
Solvent CDCl3
Source File Reference UWSI22742