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

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1'-(3-chlorophenyl)-1,1'',4',5,5''-pentamethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID JTPhCOMDP4C
InChI InChI=1S/C20H21ClN6/c1-12-19(17-10-22-25(4)13(17)2)24-27(16-8-6-7-15(21)9-16)20(12)18-11-23-26(5)14(18)3/h6-11H,1-5H3
InChIKey PXQFSNQKEFSCRF-UHFFFAOYSA-N
Mol Weight 380.88 g/mol
Molecular Formula C20H21ClN6
Exact Mass 380.151622 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXUQTb2C4N9
Name 1'-(3-chlorophenyl)-1,1'',4',5,5''-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/C20H21ClN6/c1-12-19(17-10-22-25(4)13(17)2)24-27(16-8-6-7-15(21)9-16)20(12)18-11-23-26(5)14(18)3/h6-11H,1-5H3
InChIKey PXQFSNQKEFSCRF-UHFFFAOYSA-N
NMR Offset 17.9106
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31296
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: 1761660; SBI_ID: SBI-031300
Temperature 303 °C