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benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-ethyl-1-piperazinyl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

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benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-ethyl-1-piperazinyl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID HegjgWN38vP
InChI InChI=1S/C24H30N4O5S/c1-3-26-11-13-27(14-12-26)19-10-9-16(28(31)32)15-18(19)22(29)25-23-21(24(30)33-4-2)17-7-5-6-8-20(17)34-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,25,29)
InChIKey BXQRZEJSYRTELI-UHFFFAOYSA-N
Mol Weight 486.59 g/mol
Molecular Formula C24H30N4O5S
Exact Mass 486.193691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Twk4Dsg4dR
Name benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-ethyl-1-piperazinyl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-, 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/C24H30N4O5S/c1-3-26-11-13-27(14-12-26)19-10-9-16(28(31)32)15-18(19)22(29)25-23-21(24(30)33-4-2)17-7-5-6-8-20(17)34-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,25,29)
InChIKey BXQRZEJSYRTELI-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_1645
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/9213760; Labnumber: DS-0000962
Temperature 313 °C