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3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]benzamide
SpectraBase Compound ID 4nH7e7EMtr4
InChI InChI=1S/C21H19ClN4O3S2/c1-12-19(22)13(2)26(25-12)11-14-5-4-6-15(9-14)20(27)24-21-23-17-8-7-16(31(3,28)29)10-18(17)30-21/h4-10H,11H2,1-3H3,(H,23,24,27)
InChIKey ALAVMSDPNANYSL-UHFFFAOYSA-N
Mol Weight 474.98 g/mol
Molecular Formula C21H19ClN4O3S2
Exact Mass 474.058711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CnnsueN62BO
Name 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]benzamide
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/C21H19ClN4O3S2/c1-12-19(22)13(2)26(25-12)11-14-5-4-6-15(9-14)20(27)24-21-23-17-8-7-16(31(3,28)29)10-18(17)30-21/h4-10H,11H2,1-3H3,(H,23,24,27)
InChIKey ALAVMSDPNANYSL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4735
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/8130941; UBI_ID: UBI-004736
Temperature 318 °C