(4Z)-5-methyl-2-phenyl-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	EOk66ErkI1
InChI	InChI=1S/C18H22N6O/c1-14-16(17(25)24(20-14)15-5-3-2-4-6-15)7-19-18-8-21-11-22(9-18)13-23(10-18)12-21/h2-7,19H,8-13H2,1H3/b16-7-
InChIKey	VDKAFVOOEYTRJY-APSNUPSMSA-N Google Search
Mol Weight	338.42 g/mol
Molecular Formula	C18H22N6O
Exact Mass	338.185509 g/mol

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SpectraBase Spectrum ID	3S8sbapmYIp
Name	(4Z)-5-methyl-2-phenyl-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/C18H22N6O/c1-14-16(17(25)24(20-14)15-5-3-2-4-6-15)7-19-18-8-21-11-22(9-18)13-23(10-18)12-21/h2-7,19H,8-13H2,1H3/b16-7-
InChIKey	VDKAFVOOEYTRJY-APSNUPSMSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2314
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/8050804; UBI_ID: UBI-002315
Synonyms	5-methyl-2-phenyl-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