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1'-(3-chloro-4-methylphenyl)-1,1'',3,3'',4'-pentamethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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1'-(3-chloro-4-methylphenyl)-1,1'',3,3'',4'-pentamethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID 6oxqByWhJDQ
InChI InChI=1S/C21H23ClN6/c1-12-7-8-16(9-19(12)22)28-21(18-11-27(6)24-15(18)4)13(2)20(25-28)17-10-26(5)23-14(17)3/h7-11H,1-6H3
InChIKey KXVDLUDSGDNIOF-UHFFFAOYSA-N
Mol Weight 394.91 g/mol
Molecular Formula C21H23ClN6
Exact Mass 394.167272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3YFxG6HzNal
Name 1'-(3-chloro-4-methylphenyl)-1,1'',3,3'',4'-pentamethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
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/C21H23ClN6/c1-12-7-8-16(9-19(12)22)28-21(18-11-27(6)24-15(18)4)13(2)20(25-28)17-10-26(5)23-14(17)3/h7-11H,1-6H3
InChIKey KXVDLUDSGDNIOF-UHFFFAOYSA-N
NMR Offset 17.9108
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31333
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: 1767901; SBI_ID: SBI-031337
Temperature 303 °C