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(5E)-1-(3-chlorophenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(3-chlorophenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID C5UamJQpvcA
InChI InChI=1S/C23H22ClN3O2S/c24-17-6-5-7-19(15-17)27-22(29)20(21(28)25-23(27)30)14-16-8-10-18(11-9-16)26-12-3-1-2-4-13-26/h5-11,14-15H,1-4,12-13H2,(H,25,28,30)/b20-14+
InChIKey HLBBOBGVULQHIS-XSFVSMFZSA-N
Mol Weight 439.96 g/mol
Molecular Formula C23H22ClN3O2S
Exact Mass 439.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7lT2UdfwDY
Name (5E)-1-(3-chlorophenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H22ClN3O2S/c24-17-6-5-7-19(15-17)27-22(29)20(21(28)25-23(27)30)14-16-8-10-18(11-9-16)26-12-3-1-2-4-13-26/h5-11,14-15H,1-4,12-13H2,(H,25,28,30)/b20-14+
InChIKey HLBBOBGVULQHIS-XSFVSMFZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10780
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E03110; Labnumber: KV-2603; SBI_ID: SBI-010783
Synonyms 1-(3-chlorophenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C