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isopropyl 2-[(2,4-dinitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EC7srvxEXoy
InChI InChI=1S/C20H21N3O7S/c1-10(2)30-20(25)17-14-6-4-11(3)8-16(14)31-19(17)21-18(24)13-7-5-12(22(26)27)9-15(13)23(28)29/h5,7,9-11H,4,6,8H2,1-3H3,(H,21,24)
InChIKey OOOXSRREYCNUAM-UHFFFAOYSA-N
Mol Weight 447.46 g/mol
Molecular Formula C20H21N3O7S
Exact Mass 447.110021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HYXKujTdE81
Name isopropyl 2-[(2,4-dinitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C20H21N3O7S/c1-10(2)30-20(25)17-14-6-4-11(3)8-16(14)31-19(17)21-18(24)13-7-5-12(22(26)27)9-15(13)23(28)29/h5,7,9-11H,4,6,8H2,1-3H3,(H,21,24)
InChIKey OOOXSRREYCNUAM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12503
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: UZI/6227195; Labnumber: NSB0007341; UZI_ID: UZI-012507
Temperature 318 °C