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4-[3-(BENZYLOXYCARBONYLAMINO)-PROPIONYL]-N-BUTYL-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER

View entire compound with spectra: 2 NMR

4-[3-(BENZYLOXYCARBONYLAMINO)-PROPIONYL]-N-BUTYL-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
SpectraBase Compound ID 4DvdH7zfeYu
InChI InChI=1S/C29H39N3O5/c1-4-5-16-30-28(34)27-24-13-9-10-14-25(24)37-23(18-21(2)3)19-32(27)26(33)15-17-31-29(35)36-20-22-11-7-6-8-12-22/h6-14,21,23,27H,4-5,15-20H2,1-3H3,(H,30,34)(H,31,35)/t23-,27+/m0/s1
InChIKey JHKFNBCJNWFROZ-WNCULLNHSA-N
Mol Weight 509.6 g/mol
Molecular Formula C29H39N3O5
Exact Mass 509.288971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lwK7BSJu52
Name 4-[3-(BENZYLOXYCARBONYLAMINO)-PROPIONYL]-N-BUTYL-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
Compound Number 13H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39N3O5
InChI InChI=1S/C29H39N3O5/c1-4-5-16-30-28(34)27-24-13-9-10-14-25(24)37-23(18-21(2)3)19-32(27)26(33)15-17-31-29(35)36-20-22-11-7-6-8-12-22/h6-14,21,23,27H,4-5,15-20H2,1-3H3,(H,30,34)(H,31,35)/t23-,27+/m0/s1
InChIKey JHKFNBCJNWFROZ-WNCULLNHSA-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 509.646 g/mol
Solvent DMSO-D6
Source File Reference UWBT18262