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3-thiophenecarboxylic acid, 4-(3,4-dimethylphenyl)-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 4-(3,4-dimethylphenyl)-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, ethyl ester
SpectraBase Compound ID C0ugDsHYIZj
InChI InChI=1S/C25H22N4O3S3/c1-4-32-23(31)21-17(16-10-9-14(2)15(3)11-16)12-33-22(21)26-20(30)13-34-24-27-28-25-29(24)18-7-5-6-8-19(18)35-25/h5-12H,4,13H2,1-3H3,(H,26,30)
InChIKey PXBOTPXRFOOHMO-UHFFFAOYSA-N
Mol Weight 522.66 g/mol
Molecular Formula C25H22N4O3S3
Exact Mass 522.085404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ILnP1QlzBjR
Name 3-thiophenecarboxylic acid, 4-(3,4-dimethylphenyl)-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, ethyl ester
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/C25H22N4O3S3/c1-4-32-23(31)21-17(16-10-9-14(2)15(3)11-16)12-33-22(21)26-20(30)13-34-24-27-28-25-29(24)18-7-5-6-8-19(18)35-25/h5-12H,4,13H2,1-3H3,(H,26,30)
InChIKey PXBOTPXRFOOHMO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_876
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: NMR/11228571