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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, methyl ester
SpectraBase Compound ID JCEKpcoSR8G
InChI InChI=1S/C21H20N4O3S3/c1-11-7-8-12-15(9-11)30-18(17(12)19(27)28-2)22-16(26)10-29-20-23-24-21-25(20)13-5-3-4-6-14(13)31-21/h3-6,11H,7-10H2,1-2H3,(H,22,26)
InChIKey OZIOJADAAJOQIG-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C21H20N4O3S3
Exact Mass 472.069754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I9BNQTiNdoJ
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, methyl 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/C21H20N4O3S3/c1-11-7-8-12-15(9-11)30-18(17(12)19(27)28-2)22-16(26)10-29-20-23-24-21-25(20)13-5-3-4-6-14(13)31-21/h3-6,11H,7-10H2,1-2H3,(H,22,26)
InChIKey OZIOJADAAJOQIG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_740
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/11228419