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8-Benzylidene-4-phenyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
SpectraBase Compound ID 6MaksYh9Pib
InChI InChI=1S/C21H20N2S/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14+
InChIKey OIWFTKSWHDPJCN-SAPNQHFASA-N
Mol Weight 332.46 g/mol
Molecular Formula C21H20N2S
Exact Mass 332.13472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaEFL6lAAq8
Name 8-Benzylidene-4-phenyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
CAS Registry Number 65331-27-3
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20N2S
InChI InChI=1S/C21H20N2S/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14+
InChIKey OIWFTKSWHDPJCN-SAPNQHFASA-N
Instrument Name Bruker HX-90
Literature Reference J. Mirek, T.A. Holak, Chemica Scripta 22, 133 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6