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7-(ORTHO-METHYLPHENOXY)-4-(PARA-METHYLPHENYL)-2-METHYLTHIO-3H-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID HfBay6oxe7G
InChI InChI=1S/C24H22N2OS/c1-16-8-10-18(11-9-16)21-15-24(28-3)26-20-13-12-19(14-22(20)25-21)27-23-7-5-4-6-17(23)2/h4-14H,15H2,1-3H3
InChIKey CROIILOTGKGZCD-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C24H22N2OS
Exact Mass 386.145285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45Yia4T9Scx
Name 7-(ORTHO-METHYLPHENOXY)-4-(PARA-METHYLPHENYL)-2-METHYLTHIO-3H-[1,5]-BENZODIAZEPINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22N2OS
InChI InChI=1S/C24H22N2OS/c1-16-8-10-18(11-9-16)21-15-24(28-3)26-20-13-12-19(14-22(20)25-21)27-23-7-5-4-6-17(23)2/h4-14H,15H2,1-3H3
InChIKey CROIILOTGKGZCD-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,C.A.C.ROMERO,O.G.MELLADO
Literature Reference Citation J.HETCYCL.CHEM.,39,1321(2002)
Literature Reference DOI 10.1002/jhet.5570390633
Molecular Weight 386.511 g/mol
Solvent CDCl3
Source File Reference UWSI20974