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2-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID AgN71pQz9ho
InChI InChI=1S/C21H23N3O4S/c1-2-3-14-6-10-16-17(12-14)29-21(19(16)20(22)26)23-18(25)11-7-13-4-8-15(9-5-13)24(27)28/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H2,22,26)(H,23,25)/b11-7+
InChIKey KBOGDXRUAUCMKZ-YRNVUSSQSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ePJtUVwcHO
Name 2-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H23N3O4S/c1-2-3-14-6-10-16-17(12-14)29-21(19(16)20(22)26)23-18(25)11-7-13-4-8-15(9-5-13)24(27)28/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H2,22,26)(H,23,25)/b11-7+
InChIKey KBOGDXRUAUCMKZ-YRNVUSSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19814
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/9132620; Labnumber: U_AM_ACK/018159; UZI_ID: UZI-019822
Synonyms 2-{[3-(4-nitrophenyl)-2-propenoyl]amino}-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 318 °C