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(5Z)-1-allyl-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-1-allyl-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 6U1wA6THk9v
InChI InChI=1S/C20H23N3O2S/c1-2-11-23-19(25)17(18(24)21-20(23)26)14-15-7-9-16(10-8-15)22-12-5-3-4-6-13-22/h2,7-10,14H,1,3-6,11-13H2,(H,21,24,26)/b17-14-
InChIKey LYTZXYNXDOVUHL-VKAVYKQESA-N
Mol Weight 369.48 g/mol
Molecular Formula C20H23N3O2S
Exact Mass 369.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KGQshJ0ecJ6
Name (5Z)-1-allyl-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H23N3O2S/c1-2-11-23-19(25)17(18(24)21-20(23)26)14-15-7-9-16(10-8-15)22-12-5-3-4-6-13-22/h2,7-10,14H,1,3-6,11-13H2,(H,21,24,26)/b17-14-
InChIKey LYTZXYNXDOVUHL-VKAVYKQESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9637
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: D55628; Labnumber: KV-2388; SBI_ID: SBI-009640
Synonyms 1-allyl-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C