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

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(5Z)-1-(2,4-dimethylphenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KdYnme9v5iz
InChI InChI=1S/C25H27N3O3/c1-17-7-12-22(18(2)15-17)28-24(30)21(23(29)26-25(28)31)16-19-8-10-20(11-9-19)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,26,29,31)/b21-16-
InChIKey IUHNTRJCDMDYCG-PGMHBOJBSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3du7PSu8Iq5
Name (5Z)-1-(2,4-dimethylphenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-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/C25H27N3O3/c1-17-7-12-22(18(2)15-17)28-24(30)21(23(29)26-25(28)31)16-19-8-10-20(11-9-19)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,26,29,31)/b21-16-
InChIKey IUHNTRJCDMDYCG-PGMHBOJBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9638
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: D55631; Labnumber: KV-2391; SBI_ID: SBI-009641
Synonyms 1-(2,4-dimethylphenyl)-5-(4-hexahydro-1H-azepin-1-ylbenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C