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ethyl 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Kj2FxKmtu2K
InChI InChI=1S/C27H26N2O5S/c1-2-34-27(33)22-18-5-3-4-6-19(18)35-24(22)28-23(30)14-9-11-17(12-10-14)29-25(31)20-15-7-8-16(13-15)21(20)26(29)32/h7-12,15-16,20-21H,2-6,13H2,1H3,(H,28,30)
InChIKey FHWYVIJGQZWILE-UHFFFAOYSA-N
Mol Weight 490.57 g/mol
Molecular Formula C27H26N2O5S
Exact Mass 490.156243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L3r53i3W6ju
Name ethyl 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoyl]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/C27H26N2O5S/c1-2-34-27(33)22-18-5-3-4-6-19(18)35-24(22)28-23(30)14-9-11-17(12-10-14)29-25(31)20-15-7-8-16(13-15)21(20)26(29)32/h7-12,15-16,20-21H,2-6,13H2,1H3,(H,28,30)
InChIKey FHWYVIJGQZWILE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4194
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: 112261; Labnumber: AMIR-4703; VK_ID: VK-004195
Temperature 308 °C