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1'-(3-chloro-4-methylphenyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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1'-(3-chloro-4-methylphenyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID KurlC3uYOLQ
InChI InChI=1S/C18H17ClN6/c1-12-4-5-15(6-16(12)19)25-18(14-9-21-24(3)11-14)7-17(22-25)13-8-20-23(2)10-13/h4-11H,1-3H3
InChIKey CEVQKTJAXGLHIO-UHFFFAOYSA-N
Mol Weight 352.83 g/mol
Molecular Formula C18H17ClN6
Exact Mass 352.120322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6seWQodX8jy
Name 1'-(3-chloro-4-methylphenyl)-1,1''-dimethyl-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/C18H17ClN6/c1-12-4-5-15(6-16(12)19)25-18(14-9-21-24(3)11-14)7-17(22-25)13-8-20-23(2)10-13/h4-11H,1-3H3
InChIKey CEVQKTJAXGLHIO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31349
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: 1769862; SBI_ID: SBI-031353
Temperature 306 °C