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2-methoxyethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Gjsx3JkCFLw
InChI InChI=1S/C20H21N3O8S/c1-11-14(22(26)27)9-12(10-15(11)23(28)29)18(24)21-19-17(20(25)31-8-7-30-2)13-5-3-4-6-16(13)32-19/h9-10H,3-8H2,1-2H3,(H,21,24)
InChIKey BFWOOLBIUVLQIT-UHFFFAOYSA-N
Mol Weight 463.46 g/mol
Molecular Formula C20H21N3O8S
Exact Mass 463.104936 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bBkIKUKPBR
Name 2-methoxyethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-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/C20H21N3O8S/c1-11-14(22(26)27)9-12(10-15(11)23(28)29)18(24)21-19-17(20(25)31-8-7-30-2)13-5-3-4-6-16(13)32-19/h9-10H,3-8H2,1-2H3,(H,21,24)
InChIKey BFWOOLBIUVLQIT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19776
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/9126490; Labnumber: U_AM_ACK/014060; UZI_ID: UZI-019784
Temperature 318 °C