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N-(BENZYL)-4-[2-[(TERT.-BUTOXYCARBONYL)-AMINO]-ACETYL]-2-METHYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER

View entire compound with spectra: 2 NMR

N-(BENZYL)-4-[2-[(TERT.-BUTOXYCARBONYL)-AMINO]-ACETYL]-2-METHYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
SpectraBase Compound ID E8d9pN35RcC
InChI InChI=1S/C25H31N3O5/c1-17-16-28(21(29)15-27-24(31)33-25(2,3)4)22(19-12-8-9-13-20(19)32-17)23(30)26-14-18-10-6-5-7-11-18/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)(H,27,31)/t17-,22+/m0/s1
InChIKey WIIQPBLCGNNGHI-HTAPYJJXSA-N
Mol Weight 453.54 g/mol
Molecular Formula C25H31N3O5
Exact Mass 453.226371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSoLW6Lvsgr
Name N-(BENZYL)-4-[2-[(TERT.-BUTOXYCARBONYL)-AMINO]-ACETYL]-2-METHYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MINOR-ROTAMER
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31N3O5
InChI InChI=1S/C25H31N3O5/c1-17-16-28(21(29)15-27-24(31)33-25(2,3)4)22(19-12-8-9-13-20(19)32-17)23(30)26-14-18-10-6-5-7-11-18/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)(H,27,31)/t17-,22+/m0/s1
InChIKey WIIQPBLCGNNGHI-HTAPYJJXSA-N
Literature Reference Author L.BANFI,A.BAGNO,A.BASSO,C.D.SANTIS,R.RIVA,F.RASTRELLI
Literature Reference Citation EUR.J.ORG.CHEM.,2013,5064(2013)
Literature Reference DOI 10.1002/ejoc.201300541
Molecular Weight 453.538 g/mol
Solvent DMSO-D6
Source File Reference UWBT18253