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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}-6-methyl-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}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DqwDEOydLMv
InChI InChI=1S/C28H28N2O5S/c1-3-35-28(34)23-19-11-4-14(2)12-20(19)36-25(23)29-24(31)15-7-9-18(10-8-15)30-26(32)21-16-5-6-17(13-16)22(21)27(30)33/h5-10,14,16-17,21-22H,3-4,11-13H2,1-2H3,(H,29,31)
InChIKey NZDAMTHLIARBFO-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C28H28N2O5S
Exact Mass 504.171893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3n9n2FgT7Of
Name ethyl 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoyl]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/C28H28N2O5S/c1-3-35-28(34)23-19-11-4-14(2)12-20(19)36-25(23)29-24(31)15-7-9-18(10-8-15)30-26(32)21-16-5-6-17(13-16)22(21)27(30)33/h5-10,14,16-17,21-22H,3-4,11-13H2,1-2H3,(H,29,31)
InChIKey NZDAMTHLIARBFO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3519
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: 112252; Labnumber: AMIR-4667; VK_ID: VK-003520
Temperature 308 °C