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3-(p-ethylphenyl)-6-methyl-2-thio-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 UV-Vis

3-(p-ethylphenyl)-6-methyl-2-thio-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID GbkuF1wfLQO
InChI InChI=1S/C17H16N2OS/c1-3-12-5-7-13(8-6-12)19-16(20)14-10-11(2)4-9-15(14)18-17(19)21/h4-10H,3H2,1-2H3,(H,18,21)
InChIKey COHFORFUMZLNDP-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C17H16N2OS
Exact Mass 296.098334 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HlFvXItZnWc
Name 3-(p-Ethylphenyl)-6-methyl-2-thio-2,4(1H,3H)-quinazolinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.098334316 u
Formula C17H16N2OS
InChI InChI=1S/C17H16N2OS/c1-3-12-5-7-13(8-6-12)19-16(20)14-10-11(2)4-9-15(14)18-17(19)21/h4-10H,3H2,1-2H3,(H,18,21)
InChIKey COHFORFUMZLNDP-UHFFFAOYSA-N
SMILES N1C=2C=CC(=CC2C(N(C1=S)C=1C=CC(=CC1)CC)=O)C
Spectrum/Structure Validation Score (Raman) 0.910322