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3A,4-DIHYDRO-1-PHENYL-3A,5,5-TRIMETHYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE

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3A,4-DIHYDRO-1-PHENYL-3A,5,5-TRIMETHYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
SpectraBase Compound ID LQyc4r9wqgL
InChI InChI=1S/C19H20N2OS/c1-18(2)13-19(3)21(15-11-7-8-12-16(15)23-18)17(20-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t19-/m0/s1
InChIKey BXMHVVXRQUNIBV-IBGZPJMESA-N
Mol Weight 324.44 g/mol
Molecular Formula C19H20N2OS
Exact Mass 324.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Q9IkQXA3Nw
Name 3A,4-DIHYDRO-1-PHENYL-3A,5,5-TRIMETHYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
Compound Number 3A
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H20N2OS/c1-18(2)13-19(3)21(15-11-7-8-12-16(15)23-18)17(20-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t19-/m0/s1
InChIKey BXMHVVXRQUNIBV-IBGZPJMESA-N
Literature Reference A.CHIMIRRI,R.GITTO,S.GRASSO,P.MONFORTE,M.ZAPPALA HETEROCYCLES,38,2289(1994)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING