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4'-chloro-1,1''-dimethyl-1'-(naphthalen-2-ylsulfonyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole

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4'-chloro-1,1''-dimethyl-1'-(naphthalen-2-ylsulfonyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID 52LFMDWKsZm
InChI InChI=1S/C21H17ClN6O2S/c1-26-12-16(10-23-26)20-19(22)21(17-11-24-27(2)13-17)28(25-20)31(29,30)18-8-7-14-5-3-4-6-15(14)9-18/h3-13H,1-2H3
InChIKey DUUBRRLZSYWOBA-UHFFFAOYSA-N
Mol Weight 452.92 g/mol
Molecular Formula C21H17ClN6O2S
Exact Mass 452.082223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jSrEeE3c68
Name 4'-chloro-1,1''-dimethyl-1'-(naphthalen-2-ylsulfonyl)-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/C21H17ClN6O2S/c1-26-12-16(10-23-26)20-19(22)21(17-11-24-27(2)13-17)28(25-20)31(29,30)18-8-7-14-5-3-4-6-15(14)9-18/h3-13H,1-2H3
InChIKey DUUBRRLZSYWOBA-UHFFFAOYSA-N
NMR Offset 17.9098
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31301
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: 1762399; SBI_ID: SBI-031305
Temperature 303 °C