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3-(2-Hydroxy-2,2-diphenylethyl)-1H-quinoxaline-2-thione

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

3-(2-Hydroxy-2,2-diphenylethyl)-1H-quinoxaline-2-thione
SpectraBase Compound ID 6QFp6OPIJe8
InChI InChI=1S/C22H18N2OS/c25-22(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-20-21(26)24-19-14-8-7-13-18(19)23-20/h1-14,25H,15H2,(H,24,26)
InChIKey PSQGOWVSJUTWAK-UHFFFAOYSA-N
Mol Weight 358.46 g/mol
Molecular Formula C22H18N2OS
Exact Mass 358.113984 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81YaBJ1gMd3
Name 3-(2-Hydroxy-2,2-diphenylethyl)-1H-quinoxaline-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.113984381 u
Formula C22H18N2OS
InChI InChI=1S/C22H18N2OS/c25-22(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-20-21(26)24-19-14-8-7-13-18(19)23-20/h1-14,25H,15H2,(H,24,26)
InChIKey PSQGOWVSJUTWAK-UHFFFAOYSA-N
Molecular Weight 358.459 g/mol
SMILES C1(NC=2C=CC=CC2N=C1CC(C=1C=CC=CC1)(C=1C=CC=CC1)O)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934707