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methyl 2-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 1zHEgBu5EL7
InChI InChI=1S/C21H22ClN3O3S/c1-11-14(4)29-20(17(11)21(27)28-5)23-19(26)16-8-6-7-15(9-16)10-25-13(3)18(22)12(2)24-25/h6-9H,10H2,1-5H3,(H,23,26)
InChIKey JERQRFIZAQEAQL-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C21H22ClN3O3S
Exact Mass 431.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ci2senooY3
Name methyl 2-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
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/C21H22ClN3O3S/c1-11-14(4)29-20(17(11)21(27)28-5)23-19(26)16-8-6-7-15(9-16)10-25-13(3)18(22)12(2)24-25/h6-9H,10H2,1-5H3,(H,23,26)
InChIKey JERQRFIZAQEAQL-UHFFFAOYSA-N
NMR Offset 14.99
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10310
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/9071648; UBI_ID: UBI-010313
Temperature 308 °C