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2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 9CsODeELRIF
InChI InChI=1S/C22H18ClN7OS/c1-10-7-11(2)25-22-16(10)18-19(32-22)21-26-20(28-30(21)9-24-18)15-6-5-14(31-15)8-29-13(4)17(23)12(3)27-29/h5-7,9H,8H2,1-4H3
InChIKey ZXWNGTFNZVNTKL-UHFFFAOYSA-N
Mol Weight 463.95 g/mol
Molecular Formula C22H18ClN7OS
Exact Mass 463.098207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79oSHj5soeG
Name 2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18ClN7OS/c1-10-7-11(2)25-22-16(10)18-19(32-22)21-26-20(28-30(21)9-24-18)15-6-5-14(31-15)8-29-13(4)17(23)12(3)27-29/h5-7,9H,8H2,1-4H3
InChIKey ZXWNGTFNZVNTKL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32127
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: 1844619; SBI_ID: SBI-032131
Temperature 318 °C