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7-(ORTHO-METHOXYPHENOXY)-4-(PARA-METHYLPHENYL)-2-METHYLTHIO-3H-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID 6L6TPDOsHjK
InChI InChI=1S/C24H22N2O2S/c1-16-8-10-17(11-9-16)20-15-24(29-3)26-19-13-12-18(14-21(19)25-20)28-23-7-5-4-6-22(23)27-2/h4-14H,15H2,1-3H3
InChIKey LRANGPTVDKEXIS-UHFFFAOYSA-N
Mol Weight 402.51 g/mol
Molecular Formula C24H22N2O2S
Exact Mass 402.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34K6rLunKj6
Name 7-(ORTHO-METHOXYPHENOXY)-4-(PARA-METHYLPHENYL)-2-METHYLTHIO-3H-[1,5]-BENZODIAZEPINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22N2O2S
InChI InChI=1S/C24H22N2O2S/c1-16-8-10-17(11-9-16)20-15-24(29-3)26-19-13-12-18(14-21(19)25-20)28-23-7-5-4-6-22(23)27-2/h4-14H,15H2,1-3H3
InChIKey LRANGPTVDKEXIS-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 402.511 g/mol
Solvent CDCl3
Source File Reference UWSI20977