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3A,4-DIHYDRO-3A-METHYL-1,5-DIPHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
SpectraBase Compound ID GbPOEPbIzzo
InChI InChI=1S/C23H20N2OS/c1-23-16-21(17-10-4-2-5-11-17)27-20-15-9-8-14-19(20)25(23)22(24-26-23)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKey OIWXPMGJNHHCLR-GMAHTHKFSA-N
Mol Weight 372.49 g/mol
Molecular Formula C23H20N2OS
Exact Mass 372.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEvbwLjnXE
Name 3A,4-DIHYDRO-3A-METHYL-1,5-DIPHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
Compound Number 3C
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H20N2OS/c1-23-16-21(17-10-4-2-5-11-17)27-20-15-9-8-14-19(20)25(23)22(24-26-23)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKey OIWXPMGJNHHCLR-GMAHTHKFSA-N
Literature Reference A.CHIMIRRI,R.GITTO,S.GRASSO,P.MONFORTE,M.ZAPPALA HETEROCYCLES,38,2289(1994)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING