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4'-chloro-1,1''-dimethyl-1'-(pyridin-2-ylmethyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole

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4'-chloro-1,1''-dimethyl-1'-(pyridin-2-ylmethyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID 9z4LbBHwH6r
InChI InChI=1S/C17H16ClN7/c1-23-9-12(7-20-23)16-15(18)17(13-8-21-24(2)10-13)25(22-16)11-14-5-3-4-6-19-14/h3-10H,11H2,1-2H3
InChIKey MRCBGFLAVLUBII-UHFFFAOYSA-N
Mol Weight 353.82 g/mol
Molecular Formula C17H16ClN7
Exact Mass 353.115571 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BnpTHk9r6GG
Name 4'-chloro-1,1''-dimethyl-1'-(pyridin-2-ylmethyl)-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/C17H16ClN7/c1-23-9-12(7-20-23)16-15(18)17(13-8-21-24(2)10-13)25(22-16)11-14-5-3-4-6-19-14/h3-10H,11H2,1-2H3
InChIKey MRCBGFLAVLUBII-UHFFFAOYSA-N
NMR Offset 17.9117
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31375
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: 1773569; SBI_ID: SBI-031379
Temperature 303 °C