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benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-, ethyl ester
SpectraBase Compound ID ABnppIXSZPu
InChI InChI=1S/C21H17Br2NO5S/c1-3-28-21(27)20-17(24-11(2)25)14-8-9-15(23)18(19(14)30-20)29-10-16(26)12-4-6-13(22)7-5-12/h4-9H,3,10H2,1-2H3,(H,24,25)
InChIKey FKLXHQSBZHXMSH-UHFFFAOYSA-N
Mol Weight 555.24 g/mol
Molecular Formula C21H17Br2NO5S
Exact Mass 552.91942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7DH0t0jG5J4
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-, 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/C21H17Br2NO5S/c1-3-28-21(27)20-17(24-11(2)25)14-8-9-15(23)18(19(14)30-20)29-10-16(26)12-4-6-13(22)7-5-12/h4-9H,3,10H2,1-2H3,(H,24,25)
InChIKey FKLXHQSBZHXMSH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2730
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/6014235; Labnumber: SMM-939; IOH_ID: IOH-009733