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N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
SpectraBase Compound ID B7sYjGrIJZZ
InChI InChI=1S/C23H29ClN2O3S/c1-14(2)12-15-13-26(22(28)18-10-11-19(24)30-18)20(21(27)25-23(3,4)5)16-8-6-7-9-17(16)29-15/h6-11,14-15,20H,12-13H2,1-5H3,(H,25,27)/t15-,20+/m0/s1
InChIKey UFROZSQYOZXNCT-MGPUTAFESA-N
Mol Weight 449.01 g/mol
Molecular Formula C23H29ClN2O3S
Exact Mass 448.158742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUSFID3q278
Name N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
Compound Number 13F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29ClN2O3S
InChI InChI=1S/C23H29ClN2O3S/c1-14(2)12-15-13-26(22(28)18-10-11-19(24)30-18)20(21(27)25-23(3,4)5)16-8-6-7-9-17(16)29-15/h6-11,14-15,20H,12-13H2,1-5H3,(H,25,27)/t15-,20+/m0/s1
InChIKey UFROZSQYOZXNCT-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 449.008 g/mol
Solvent DMSO-D6
Source File Reference UWBT18259