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methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8LCqtXhLJlF
InChI InChI=1S/C21H21N3O3S/c1-24-16(10-11-22-24)19(25)23-20-18(21(26)27-2)15-9-8-14(12-17(15)28-20)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,23,25)
InChIKey WXVZYKHGPAYDBS-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IheJsZK1ro6
Name methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-6-phenyl-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/C21H21N3O3S/c1-24-16(10-11-22-24)19(25)23-20-18(21(26)27-2)15-9-8-14(12-17(15)28-20)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,23,25)
InChIKey WXVZYKHGPAYDBS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16074
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/1009691; Labnumber: NSB-0100722; UZI_ID: UZI-016078
Temperature 318 °C