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3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone
SpectraBase Compound ID juho7wHY3p
InChI InChI=1S/C14H9ClN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey FSBMFWYJFRHAIW-UHFFFAOYSA-N
Mol Weight 288.75 g/mol
Molecular Formula C14H9ClN2OS
Exact Mass 288.012412 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6xC0RODEFER
Name 3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.012411791 u
Formula C14H9ClN2OS
InChI InChI=1S/C14H9ClN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey FSBMFWYJFRHAIW-UHFFFAOYSA-N
SMILES C1(=NC2=C(C(N1C1=CC=C(C=C1)Cl)=O)C=CC=C2)S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926957