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(5-(3,4-ETHYLENEDIOXYPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID GCayIMJAUwH
InChI InChI=1S/C22H23N3O5/c1-22(2,3)30-21(27)25-19-20(26)23-15-9-5-4-7-13(15)17(24-19)14-8-6-10-16-18(14)29-12-11-28-16/h4-10,19H,11-12H2,1-3H3,(H,23,26)(H,25,27)
InChIKey YALNUNFKWMIPAY-UHFFFAOYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C22H23N3O5
Exact Mass 409.163771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Vh8Cl0YOfW
Name (5-(3,4-ETHYLENEDIOXYPHENYL)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO-[E]-[1,4]-DIAZEPIN-3-YL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23N3O5
InChI InChI=1S/C22H23N3O5/c1-22(2,3)30-21(27)25-19-20(26)23-15-9-5-4-7-13(15)17(24-19)14-8-6-10-16-18(14)29-12-11-28-16/h4-10,19H,11-12H2,1-3H3,(H,23,26)(H,25,27)
InChIKey YALNUNFKWMIPAY-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 409.442 g/mol
Solvent CDCl3
Source File Reference UWSI22743