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1'-(2-chloro-4-fluorobenzyl)-1,1'',3,3''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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1'-(2-chloro-4-fluorobenzyl)-1,1'',3,3''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID BgDPAF2hF9Q
InChI InChI=1S/C20H20ClFN6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(22)7-18(14)21/h5-8,10-11H,9H2,1-4H3
InChIKey XIWSJMQLZDLNLU-UHFFFAOYSA-N
Mol Weight 398.87 g/mol
Molecular Formula C20H20ClFN6
Exact Mass 398.142201 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZX6bhdHtnJ
Name 1'-(2-chloro-4-fluorobenzyl)-1,1'',3,3''-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/C20H20ClFN6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(22)7-18(14)21/h5-8,10-11H,9H2,1-4H3
InChIKey XIWSJMQLZDLNLU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31383
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: 1774212; SBI_ID: SBI-031387
Temperature 318 °C