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2-(pyrimidin-2-ylsulfanylmethyl)-3-O-tolyl-3H-quinazolin-4-one

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

2-(pyrimidin-2-ylsulfanylmethyl)-3-O-tolyl-3H-quinazolin-4-one
SpectraBase Compound ID F0TllDm1c7M
InChI InChI=1S/C20H16N4OS/c1-14-7-2-5-10-17(14)24-18(13-26-20-21-11-6-12-22-20)23-16-9-4-3-8-15(16)19(24)25/h2-12H,13H2,1H3
InChIKey YSXDIJVVDSNNBC-UHFFFAOYSA-N
Mol Weight 360.44 g/mol
Molecular Formula C20H16N4OS
Exact Mass 360.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DWbbv5SPLDq
Name 4(3H)-quinazolinone, 3-(2-methylphenyl)-2-[(2-pyrimidinylthio)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.104482324 u
Formula C20H16N4OS
InChI InChI=1S/C20H16N4OS/c1-14-7-2-5-10-17(14)24-18(13-26-20-21-11-6-12-22-20)23-16-9-4-3-8-15(16)19(24)25/h2-12H,13H2,1H3
InChIKey YSXDIJVVDSNNBC-UHFFFAOYSA-N
Molecular Weight 360.435 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10969
Solvent DMSO-d6
Source Vendor ID: NMR/10251136; Lab Info: LP; Lab Number: LP-2100612