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2-Mercapto-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Mercapto-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
SpectraBase Compound ID IuS1ccYGgJl
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)
InChIKey YUXDGVQAVUZOSI-UHFFFAOYSA-N
Mol Weight 322.31 g/mol
Molecular Formula C15H9F3N2OS
Exact Mass 322.038769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFNo2OEiIu6
Name 4(3H)-quinazolinone, 2-mercapto-3-[3-(trifluoromethyl)phenyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)
InChIKey YUXDGVQAVUZOSI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3729
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/17231749; Labnumber: c_bloc-374