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(4R,6S)-CIS-4-(4''-CHLOROPHENYL)-6-[(1'S)-10'-(N,N-DICYCLOHEXYLSULFONAMIDE)-ISOBORNEYL]-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE

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(4R,6S)-CIS-4-(4''-CHLOROPHENYL)-6-[(1'S)-10'-(N,N-DICYCLOHEXYLSULFONAMIDE)-ISOBORNEYL]-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
SpectraBase Compound ID FT08KvFp9i0
InChI InChI=1S/C33H46ClN3O5S/c1-32(2)24-17-18-33(32,22-43(39,40)36(26-9-5-3-6-10-26)27-11-7-4-8-12-27)30(19-24)41-31-20-28(29(21-35)37(38)42-31)23-13-15-25(34)16-14-23/h13-16,24,26-28,30-31H,3-12,17-20,22H2,1-2H3/t24-,28-,30-,31+,33+/m1/s1
InChIKey ZAXIFQXESOLQEI-NCSKRDRUSA-N
Mol Weight 632.3 g/mol
Molecular Formula C33H46ClN3O5S
Exact Mass 631.28467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ic4UjorNcj2
Name (4R,6S)-CIS-4-(4''-CHLOROPHENYL)-6-[(1'S)-10'-(N,N-DICYCLOHEXYLSULFONAMIDE)-ISOBORNEYL]-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
Compound Number 6BZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46ClN3O5S
InChI InChI=1S/C33H46ClN3O5S/c1-32(2)24-17-18-33(32,22-43(39,40)36(26-9-5-3-6-10-26)27-11-7-4-8-12-27)30(19-24)41-31-20-28(29(21-35)37(38)42-31)23-13-15-25(34)16-14-23/h13-16,24,26-28,30-31H,3-12,17-20,22H2,1-2H3/t24-,28-,30-,31+,33+/m1/s1
InChIKey ZAXIFQXESOLQEI-NCSKRDRUSA-N
Literature Reference Author F.FRINGUELLI,M.MATTEUCCI,O.PIERMATTI,F.PIZZO,M.C.BURLA
Literature Reference Citation J.ORG.CHEM.,66,4661(2001)
Literature Reference DOI 10.1021/jo010182v
Molecular Weight 632.258 g/mol
Solvent CDCl3
Source File Reference UWMS28080