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benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-4,5,6,7-tetrahydro-6-iodo-7-oxo-, ethyl ester
SpectraBase Compound ID IEsGeYlC9cN
InChI InChI=1S/C13H14INO4S/c1-3-19-13(18)12-9(15-6(2)16)7-4-5-8(14)10(17)11(7)20-12/h8H,3-5H2,1-2H3,(H,15,16)
InChIKey PQOWYWUJDDMKOK-UHFFFAOYSA-N
Mol Weight 407.22 g/mol
Molecular Formula C13H14INO4S
Exact Mass 406.968824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4kmc4Yl5gFy
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-4,5,6,7-tetrahydro-6-iodo-7-oxo-, 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/C13H14INO4S/c1-3-19-13(18)12-9(15-6(2)16)7-4-5-8(14)10(17)11(7)20-12/h8H,3-5H2,1-2H3,(H,15,16)
InChIKey PQOWYWUJDDMKOK-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1489
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/6014456; Labnumber: SMM-1046
Temperature 297 °C