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7-BROMO-N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE

View entire compound with spectra: 2 NMR

7-BROMO-N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
SpectraBase Compound ID C2Vmhb8l89R
InChI InChI=1S/C23H28BrClN2O3S/c1-13(2)10-15-12-27(22(29)18-8-9-19(25)31-18)20(21(28)26-23(3,4)5)16-11-14(24)6-7-17(16)30-15/h6-9,11,13,15,20H,10,12H2,1-5H3,(H,26,28)/t15-,20+/m0/s1
InChIKey VJGKLMOBLHKRSB-MGPUTAFESA-N
Mol Weight 527.91 g/mol
Molecular Formula C23H28BrClN2O3S
Exact Mass 526.069255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ftshiel4aWq
Name 7-BROMO-N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
Compound Number 13M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28BrClN2O3S
InChI InChI=1S/C23H28BrClN2O3S/c1-13(2)10-15-12-27(22(29)18-8-9-19(25)31-18)20(21(28)26-23(3,4)5)16-11-14(24)6-7-17(16)30-15/h6-9,11,13,15,20H,10,12H2,1-5H3,(H,26,28)/t15-,20+/m0/s1
InChIKey VJGKLMOBLHKRSB-MGPUTAFESA-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 527.904 g/mol
Solvent DMSO-D6
Source File Reference UWBT18267