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(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 NMR

(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 67SNCZeqLmO
InChI InChI=1S/C20H26N6O/c1-14-4-5-17(6-15(14)2)26-19(27)18(16(3)22-26)7-21-20-8-23-11-24(9-20)13-25(10-20)12-23/h4-7,21H,8-13H2,1-3H3/b18-7-
InChIKey NDZWCAJWUUJRNN-WSVATBPTSA-N
Mol Weight 366.47 g/mol
Molecular Formula C20H26N6O
Exact Mass 366.216809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4nS3dvPl9wv
Name (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
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/C20H26N6O/c1-14-4-5-17(6-15(14)2)26-19(27)18(16(3)22-26)7-21-20-8-23-11-24(9-20)13-25(10-20)12-23/h4-7,21H,8-13H2,1-3H3/b18-7-
InChIKey NDZWCAJWUUJRNN-WSVATBPTSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2497
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: UZI/8051027; UBI_ID: UBI-002498
Synonyms 2-(3,4-dimethylphenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C