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methyl 2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8hV429y3eX0
InChI InChI=1S/C21H18N2O5S/c1-28-21(27)18-14-4-2-3-5-15(14)29-20(18)22-19(26)12-6-8-13(9-7-12)23-16(24)10-11-17(23)25/h6-11H,2-5H2,1H3,(H,22,26)
InChIKey NTJQPYHWACEZQO-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GL8k2uI4Jur
Name methyl 2-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-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/C21H18N2O5S/c1-28-21(27)18-14-4-2-3-5-15(14)29-20(18)22-19(26)12-6-8-13(9-7-12)23-16(24)10-11-17(23)25/h6-11H,2-5H2,1H3,(H,22,26)
InChIKey NTJQPYHWACEZQO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12120
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/9100080; UBI_ID: UBI-012123
Temperature 308 °C