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isopropyl 4-(aminocarbonyl)-5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID AO3DcnWBwui
InChI InChI=1S/C20H19ClN2O4S2/c1-8(2)27-20(26)15-10(4)13(17(22)24)19(29-15)23-18(25)16-14(21)11-6-5-9(3)7-12(11)28-16/h5-8H,1-4H3,(H2,22,24)(H,23,25)
InChIKey GTSAAGBTNYNCMN-UHFFFAOYSA-N
Mol Weight 450.96 g/mol
Molecular Formula C20H19ClN2O4S2
Exact Mass 450.047477 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISQsMsKpgLa
Name isopropyl 4-(aminocarbonyl)-5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-3-methyl-2-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/C20H19ClN2O4S2/c1-8(2)27-20(26)15-10(4)13(17(22)24)19(29-15)23-18(25)16-14(21)11-6-5-9(3)7-12(11)28-16/h5-8H,1-4H3,(H2,22,24)(H,23,25)
InChIKey GTSAAGBTNYNCMN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2876
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/8068851; UBI_ID: UBI-002877
Temperature 318 °C