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2-{[(2Z)-3-(4-nitrophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID 6cpl3GzzfEe
InChI InChI=1S/C20H21N3O4S/c21-19(25)18-15-5-3-1-2-4-6-16(15)28-20(18)22-17(24)12-9-13-7-10-14(11-8-13)23(26)27/h7-12H,1-6H2,(H2,21,25)(H,22,24)/b12-9-
InChIKey HZGPJCUBZPKPTE-XFXZXTDPSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HeGu8mXmrtZ
Name 2-{[(2Z)-3-(4-nitrophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C20H21N3O4S/c21-19(25)18-15-5-3-1-2-4-6-16(15)28-20(18)22-17(24)12-9-13-7-10-14(11-8-13)23(26)27/h7-12H,1-6H2,(H2,21,25)(H,22,24)/b12-9-
InChIKey HZGPJCUBZPKPTE-XFXZXTDPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7825
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/9017845; UBI_ID: UBI-007828
Synonyms 2-{[3-(4-nitrophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Temperature 313 °C