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ethyl 2-{[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4RbKlGYQ6LH
InChI InChI=1S/C27H25N3O3S/c1-2-33-27(32)23-20-15-9-10-16-22(20)34-26(23)28-25(31)21-17-30(19-13-7-4-8-14-19)29-24(21)18-11-5-3-6-12-18/h3-8,11-14,17H,2,9-10,15-16H2,1H3,(H,28,31)
InChIKey VMORZHFVSGINID-UHFFFAOYSA-N
Mol Weight 471.58 g/mol
Molecular Formula C27H25N3O3S
Exact Mass 471.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DBzKY0pr9H
Name ethyl 2-{[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]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/C27H25N3O3S/c1-2-33-27(32)23-20-15-9-10-16-22(20)34-26(23)28-25(31)21-17-30(19-13-7-4-8-14-19)29-24(21)18-11-5-3-6-12-18/h3-8,11-14,17H,2,9-10,15-16H2,1H3,(H,28,31)
InChIKey VMORZHFVSGINID-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16306
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/1007723; Labnumber: OL00125; UZI_ID: UZI-016310
Temperature 318 °C