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4'-chloro-1,1'',3,3''-tetramethyl-1'-(4-methylbenzyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole

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4'-chloro-1,1'',3,3''-tetramethyl-1'-(4-methylbenzyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID 9Quy9QB0kAV
InChI InChI=1S/C21H23ClN6/c1-13-6-8-16(9-7-13)10-28-21(18-12-27(5)24-15(18)3)19(22)20(25-28)17-11-26(4)23-14(17)2/h6-9,11-12H,10H2,1-5H3
InChIKey XBZKMAXHRXDMSC-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 DodPNo0gyrB
Name 4'-chloro-1,1'',3,3''-tetramethyl-1'-(4-methylbenzyl)-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/c1-13-6-8-16(9-7-13)10-28-21(18-12-27(5)24-15(18)3)19(22)20(25-28)17-11-26(4)23-14(17)2/h6-9,11-12H,10H2,1-5H3
InChIKey XBZKMAXHRXDMSC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31325
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: 1766332; SBI_ID: SBI-031329
Temperature 318 °C