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2-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]quinoline
SpectraBase Compound ID 4Ps08LEtUNA
InChI InChI=1S/C22H17N3O3/c1-13-9-14(2)25(24-13)22(26)17-11-19(23-18-6-4-3-5-16(17)18)15-7-8-20-21(10-15)28-12-27-20/h3-11H,12H2,1-2H3
InChIKey RQTRDEQCUJGMHF-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C22H17N3O3
Exact Mass 371.126991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dnh3F1kwSA1
Name 2-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]quinoline
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/C22H17N3O3/c1-13-9-14(2)25(24-13)22(26)17-11-19(23-18-6-4-3-5-16(17)18)15-7-8-20-21(10-15)28-12-27-20/h3-11H,12H2,1-2H3
InChIKey RQTRDEQCUJGMHF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20335
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: UZI/9162447; UBI_ID: UBI-020339
Temperature 318 °C