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(5Z)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-1-(3-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

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(5Z)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-1-(3-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AjwqEWXUTq
InChI InChI=1S/C24H25N3O4/c1-31-20-8-6-7-19(16-20)27-23(29)21(22(28)25-24(27)30)15-17-9-11-18(12-10-17)26-13-4-2-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,25,28,30)/b21-15-
InChIKey SDRKANAWVYASOQ-QNGOZBTKSA-N
Mol Weight 419.48 g/mol
Molecular Formula C24H25N3O4
Exact Mass 419.184506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQAWTZEKXhC
Name (5Z)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-1-(3-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C24H25N3O4/c1-31-20-8-6-7-19(16-20)27-23(29)21(22(28)25-24(27)30)15-17-9-11-18(12-10-17)26-13-4-2-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,25,28,30)/b21-15-
InChIKey SDRKANAWVYASOQ-QNGOZBTKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9640
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: D55637; Labnumber: KV-2397; SBI_ID: SBI-009643
Synonyms 5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-1-(3-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C