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4'-chloro-1,1''-dimethyl-1'-tosyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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4'-chloro-1,1''-dimethyl-1'-tosyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID JvZdgFICwY1
InChI InChI=1S/C18H17ClN6O2S/c1-12-4-6-15(7-5-12)28(26,27)25-18(14-9-21-24(3)11-14)16(19)17(22-25)13-8-20-23(2)10-13/h4-11H,1-3H3
InChIKey BJYJDLCZSZWVQB-UHFFFAOYSA-N
Mol Weight 416.89 g/mol
Molecular Formula C18H17ClN6O2S
Exact Mass 416.082223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2n3md5nQNIv
Name 4'-chloro-1,1''-dimethyl-1'-tosyl-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/C18H17ClN6O2S/c1-12-4-6-15(7-5-12)28(26,27)25-18(14-9-21-24(3)11-14)16(19)17(22-25)13-8-20-23(2)10-13/h4-11H,1-3H3
InChIKey BJYJDLCZSZWVQB-UHFFFAOYSA-N
NMR Offset 17.9097
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31378
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: 1773744; SBI_ID: SBI-031382
Temperature 303 °C