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

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3A,4-DIHYDRO-3A,5-DIMETHYL-1-PHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
SpectraBase Compound ID JbVnCslcZTj
InChI InChI=1S/C18H18N2OS/c1-13-12-18(2)20(15-10-6-7-11-16(15)22-13)17(19-21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18+/m1/s1
InChIKey AXDNOEIXABAWJD-ACJLOTCBSA-N
Mol Weight 310.42 g/mol
Molecular Formula C18H18N2OS
Exact Mass 310.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYU02rR3nYW
Name 3A,4-DIHYDRO-3A,5-DIMETHYL-1-PHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
Compound Number 3B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H18N2OS/c1-13-12-18(2)20(15-10-6-7-11-16(15)22-13)17(19-21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18+/m1/s1
InChIKey AXDNOEIXABAWJD-ACJLOTCBSA-N
Literature Reference A.CHIMIRRI,R.GITTO,S.GRASSO,P.MONFORTE,M.ZAPPALA HETEROCYCLES,38,2289(1994)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING