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3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 9iDOAJxtOz3
InChI InChI=1S/C24H19F3N2OS2/c25-24(26,27)16-8-6-7-15(13-16)14-31-23-28-21-20(18-11-4-5-12-19(18)32-21)22(30)29(23)17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2
InChIKey MKGVBYAPDIGAAI-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C24H19F3N2OS2
Exact Mass 472.08909 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6WDKDbQzM7t
Name 3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C24H19F3N2OS2/c25-24(26,27)16-8-6-7-15(13-16)14-31-23-28-21-20(18-11-4-5-12-19(18)32-21)22(30)29(23)17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2
InChIKey MKGVBYAPDIGAAI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1130
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: NMR/9223383; Labnumber: LP-2190415
Temperature 303 °C