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N-(TERT.-BUTYL)-2-ISOBUTYL-4-PHENYLACETYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
SpectraBase Compound ID 89YHZqcudFG
InChI InChI=1S/C26H34N2O3/c1-18(2)15-20-17-28(23(29)16-19-11-7-6-8-12-19)24(25(30)27-26(3,4)5)21-13-9-10-14-22(21)31-20/h6-14,18,20,24H,15-17H2,1-5H3,(H,27,30)/t20-,24+/m0/s1
InChIKey XJFKTBGMDXTTJG-GBXCKJPGSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H34N2O3
Exact Mass 422.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeGy5WDb9w0
Name N-(TERT.-BUTYL)-2-ISOBUTYL-4-PHENYLACETYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
Compound Number 13E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34N2O3
InChI InChI=1S/C26H34N2O3/c1-18(2)15-20-17-28(23(29)16-19-11-7-6-8-12-19)24(25(30)27-26(3,4)5)21-13-9-10-14-22(21)31-20/h6-14,18,20,24H,15-17H2,1-5H3,(H,27,30)/t20-,24+/m0/s1
InChIKey XJFKTBGMDXTTJG-GBXCKJPGSA-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 422.568 g/mol
Solvent DMSO-D6
Source File Reference UWBT18258