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2-PARA-CHLOROPHENYL-5,8-METHANO-1,2R*,4AS*,5,6,7,8,8AR*-OCTAHYDRO-4H-3,1-BENZOXAZIN-[2.1-C]-2,5-DIPHENYL-2H-1,2,4-TRIAZOLINE

View entire compound with spectra: 1 NMR

2-PARA-CHLOROPHENYL-5,8-METHANO-1,2R*,4AS*,5,6,7,8,8AR*-OCTAHYDRO-4H-3,1-BENZOXAZIN-[2.1-C]-2,5-DIPHENYL-2H-1,2,4-TRIAZOLINE
SpectraBase Compound ID 8o2EmOI0E1p
InChI InChI=1S/C28H26ClN3O/c29-23-15-13-22(14-16-23)28-31(26-21-12-11-20(17-21)25(26)18-33-28)27(19-7-3-1-4-8-19)30-32(28)24-9-5-2-6-10-24/h1-10,13-16,20-21,25-26H,11-12,17-18H2/t20-,21+,25-,26+,28?/m1/s1
InChIKey KYORQMRDRSCZDI-WYBSAVSXSA-N
Mol Weight 455.99 g/mol
Molecular Formula C28H26ClN3O
Exact Mass 455.17644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2ObaRGV5KN
Name 2-PARA-CHLOROPHENYL-5,8-METHANO-1,2R*,4AS*,5,6,7,8,8AR*-OCTAHYDRO-4H-3,1-BENZOXAZIN-[2.1-C]-2,5-DIPHENYL-2H-1,2,4-TRIAZOLINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26ClN3O
InChI InChI=1S/C28H26ClN3O/c29-23-15-13-22(14-16-23)28-31(26-21-12-11-20(17-21)25(26)18-33-28)27(19-7-3-1-4-8-19)30-32(28)24-9-5-2-6-10-24/h1-10,13-16,20-21,25-26H,11-12,17-18H2/t20-,21+,25-,26+,28?/m1/s1
InChIKey KYORQMRDRSCZDI-WYBSAVSXSA-N
Literature Reference Author P.SOHAR,G.STAJER,G.BERNATH
Literature Reference Citation MAGN.RES.CHEM.,25,635(1987)
Literature Reference DOI 10.1002/mrc.1260250715
Molecular Weight 455.987 g/mol
Solvent CDCl3
Source File Reference UWGB798