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4-Phenyl-quinazoline-2(1H)-thione

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

4-Phenyl-quinazoline-2(1H)-thione
SpectraBase Compound ID 3CfXntIV5Tj
InChI InChI=1S/C14H10N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
InChIKey LRTJXDQEJMZJIM-UHFFFAOYSA-N
Mol Weight 238.31 g/mol
Molecular Formula C14H10N2S
Exact Mass 238.05647 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GKZi8ws98k9
Name 4-Phenyl-quinazoline-2(1H)-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.056469504 u
Formula C14H10N2S
InChI InChI=1S/C14H10N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
InChIKey LRTJXDQEJMZJIM-UHFFFAOYSA-N
Molecular Weight 238.308 g/mol
SMILES N1c2ccccc2C(=NC1=S)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848435