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N-CYCLOHEXYL-2-METHYL-4-PROPIONYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
SpectraBase Compound ID JS1rJnTY4Ch
InChI InChI=1S/C20H28N2O3/c1-3-18(23)22-13-14(2)25-17-12-8-7-11-16(17)19(22)20(24)21-15-9-5-4-6-10-15/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3,(H,21,24)/t14-,19+/m0/s1
InChIKey OYVUIRWUQJNYMC-IFXJQAMLSA-N
Mol Weight 344.46 g/mol
Molecular Formula C20H28N2O3
Exact Mass 344.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GK7B9WKIBiD
Name N-CYCLOHEXYL-2-METHYL-4-PROPIONYL-2,3,4,5-TETRAHYDROBENZO-[F]-[1,4]-OXAZEPINE-5-CARBOXAMIDE;MAJOR-ROTAMER
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N2O3
InChI InChI=1S/C20H28N2O3/c1-3-18(23)22-13-14(2)25-17-12-8-7-11-16(17)19(22)20(24)21-15-9-5-4-6-10-15/h7-8,11-12,14-15,19H,3-6,9-10,13H2,1-2H3,(H,21,24)/t14-,19+/m0/s1
InChIKey OYVUIRWUQJNYMC-IFXJQAMLSA-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 344.454 g/mol
Solvent DMSO-D6
Source File Reference UWBT18248