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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, ethyl ester
SpectraBase Compound ID GWKW58zJwOR
InChI InChI=1S/C22H22N4O3S3/c1-2-29-20(28)18-13-8-4-3-5-10-15(13)31-19(18)23-17(27)12-30-21-24-25-22-26(21)14-9-6-7-11-16(14)32-22/h6-7,9,11H,2-5,8,10,12H2,1H3,(H,23,27)
InChIKey HSGBDFDQDIDLKP-UHFFFAOYSA-N
Mol Weight 486.62 g/mol
Molecular Formula C22H22N4O3S3
Exact Mass 486.085404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8puQwtV0Qp1
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-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/C22H22N4O3S3/c1-2-29-20(28)18-13-8-4-3-5-10-15(13)31-19(18)23-17(27)12-30-21-24-25-22-26(21)14-9-6-7-11-16(14)32-22/h6-7,9,11H,2-5,8,10,12H2,1H3,(H,23,27)
InChIKey HSGBDFDQDIDLKP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_875
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/11228570