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1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-, 2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoethyl ester

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1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-, 2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoethyl ester
SpectraBase Compound ID 1MzXb8xsj2T
InChI InChI=1S/C21H17N3O5S/c22-9-15-12-5-3-4-8-16(12)30-19(15)23-17(25)11-29-18(26)10-24-20(27)13-6-1-2-7-14(13)21(24)28/h1-2,6-7H,3-5,8,10-11H2,(H,23,25)
InChIKey JGNOBMVGAIWWFP-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C21H17N3O5S
Exact Mass 423.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1cbkowKTYZ8
Name 1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-, 2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoethyl 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/C21H17N3O5S/c22-9-15-12-5-3-4-8-16(12)30-19(15)23-17(25)11-29-18(26)10-24-20(27)13-6-1-2-7-14(13)21(24)28/h1-2,6-7H,3-5,8,10-11H2,(H,23,25)
InChIKey JGNOBMVGAIWWFP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6542
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: ZI/7017275; Labnumber: L-23/0004078; IOH_ID: IOH-013546