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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 3dWnyzZecgr
InChI InChI=1S/C22H27ClN2O3S/c1-13(2)16-12-25(21(27)17-10-11-18(23)29-17)19(20(26)24-22(3,4)5)14-8-6-7-9-15(14)28-16/h6-11,13,16,19H,12H2,1-5H3,(H,24,26)/t16-,19-/m1/s1
InChIKey HOKWEQGFGJCOOC-VQIMIIECSA-N
Mol Weight 434.98 g/mol
Molecular Formula C22H27ClN2O3S
Exact Mass 434.143092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J23bKfO29ys
Name N-(TERT.-BUTYL)-4-(5-CHLOROTHIOPHENE-2-CARBONYL)-2-ISOBUTYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE
Compound Number 13K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27ClN2O3S
InChI InChI=1S/C22H27ClN2O3S/c1-13(2)16-12-25(21(27)17-10-11-18(23)29-17)19(20(26)24-22(3,4)5)14-8-6-7-9-15(14)28-16/h6-11,13,16,19H,12H2,1-5H3,(H,24,26)/t16-,19-/m1/s1
InChIKey HOKWEQGFGJCOOC-VQIMIIECSA-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 434.981 g/mol
Solvent DMSO-D6
Source File Reference UWBT18265