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ethyl 2-{[(2-chloro-3-pyridinyl)carbonyl]amino}-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID 2yaiBOC7OBk
InChI InChI=1S/C22H20ClN3O4S/c1-4-30-22(29)16-13(3)17(20(28)25-14-9-7-12(2)8-10-14)31-21(16)26-19(27)15-6-5-11-24-18(15)23/h5-11H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey QOTOQRDVTLVQHY-UHFFFAOYSA-N
Mol Weight 457.93 g/mol
Molecular Formula C22H20ClN3O4S
Exact Mass 457.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7PFtnXyjYpq
Name ethyl 2-{[(2-chloro-3-pyridinyl)carbonyl]amino}-4-methyl-5-(4-toluidinocarbonyl)-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/C22H20ClN3O4S/c1-4-30-22(29)16-13(3)17(20(28)25-14-9-7-12(2)8-10-14)31-21(16)26-19(27)15-6-5-11-24-18(15)23/h5-11H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey QOTOQRDVTLVQHY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19896
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/9150463; Labnumber: U_AM_ACK/021524; UZI_ID: UZI-019904
Temperature 318 °C