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(4Z)-2-(4-iodophenyl)-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-(4-iodophenyl)-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 8cXNOktJ6zQ
InChI InChI=1S/C18H21IN6O/c1-13-16(17(26)25(21-13)15-4-2-14(19)3-5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/b16-6-
InChIKey ZOSXJRRWDIJWSM-SOFYXZRVSA-N
Mol Weight 464.31 g/mol
Molecular Formula C18H21IN6O
Exact Mass 464.082154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10OftyrJx21
Name (4Z)-2-(4-iodophenyl)-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/C18H21IN6O/c1-13-16(17(26)25(21-13)15-4-2-14(19)3-5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/b16-6-
InChIKey ZOSXJRRWDIJWSM-SOFYXZRVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5179
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/8054901; Labnumber: BMW-98187T; UZI_ID: UZI-005181
Synonyms 2-(4-iodophenyl)-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 318 °C