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N-phenyl-2-{[(2-pyrimidinylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID LszVjRgaG1h
InChI InChI=1S/C21H20N4O2S2/c26-17(13-28-21-22-11-6-12-23-21)25-20-18(15-9-4-5-10-16(15)29-20)19(27)24-14-7-2-1-3-8-14/h1-3,6-8,11-12H,4-5,9-10,13H2,(H,24,27)(H,25,26)
InChIKey WWPBNVBFBXKYFQ-UHFFFAOYSA-N
Mol Weight 424.54 g/mol
Molecular Formula C21H20N4O2S2
Exact Mass 424.102768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JrkZZ28jHIV
Name N-phenyl-2-{[(2-pyrimidinylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H20N4O2S2/c26-17(13-28-21-22-11-6-12-23-21)25-20-18(15-9-4-5-10-16(15)29-20)19(27)24-14-7-2-1-3-8-14/h1-3,6-8,11-12H,4-5,9-10,13H2,(H,24,27)(H,25,26)
InChIKey WWPBNVBFBXKYFQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9631
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: D55603; Labnumber: SPUL-1476; SBI_ID: SBI-009634
Temperature 318 °C