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4'-chloro-1'-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)-1,1'',5,5''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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4'-chloro-1'-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)-1,1'',5,5''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID HIzgzitBkuS
InChI InChI=1S/C21H20ClF3N8/c1-10-13(8-26-31(10)3)18-17(22)19(14-9-27-32(4)11(14)2)33(30-18)20-28-15(12-5-6-12)7-16(29-20)21(23,24)25/h7-9,12H,5-6H2,1-4H3
InChIKey JKZLNZQZMULOIS-UHFFFAOYSA-N
Mol Weight 476.9 g/mol
Molecular Formula C21H20ClF3N8
Exact Mass 476.145155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9G81XHfyXjU
Name 4'-chloro-1'-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)-1,1'',5,5''-tetramethyl-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/C21H20ClF3N8/c1-10-13(8-26-31(10)3)18-17(22)19(14-9-27-32(4)11(14)2)33(30-18)20-28-15(12-5-6-12)7-16(29-20)21(23,24)25/h7-9,12H,5-6H2,1-4H3
InChIKey JKZLNZQZMULOIS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31324
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: 1766320; SBI_ID: SBI-031328
Temperature 318 °C