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

View entire compound with spectra: 1 NMR

1'-(3-chlorobenzyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID DOFJ4Qbzs3g
InChI InChI=1S/C18H17ClN6/c1-23-11-14(8-20-23)17-7-18(15-9-21-24(2)12-15)25(22-17)10-13-4-3-5-16(19)6-13/h3-9,11-12H,10H2,1-2H3
InChIKey STQXBGOMNZCELY-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 8zvMDxMpUFq
Name 1'-(3-chlorobenzyl)-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/c1-23-11-14(8-20-23)17-7-18(15-9-21-24(2)12-15)25(22-17)10-13-4-3-5-16(19)6-13/h3-9,11-12H,10H2,1-2H3
InChIKey STQXBGOMNZCELY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31337
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: 1768341; SBI_ID: SBI-031341
Temperature 308 °C