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4-[(2,4-Dinitrophenyl)thio]phenol

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

4-[(2,4-Dinitrophenyl)thio]phenol
SpectraBase Compound ID D8kpwWcu66A
InChI InChI=1S/C12H8N2O5S/c15-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)14(18)19/h1-7,15H
InChIKey LRQBAVHIEGPNHC-UHFFFAOYSA-N
Mol Weight 292.27 g/mol
Molecular Formula C12H8N2O5S
Exact Mass 292.015393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6gfTC7GSbD8
Name 4-[(2,4-Dinitrophenyl)thio]phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.015392535 u
Formula C12H8N2O5S
InChI InChI=1S/C12H8N2O5S/c15-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)14(18)19/h1-7,15H
InChIKey LRQBAVHIEGPNHC-UHFFFAOYSA-N
Molecular Weight 292.265 g/mol
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1SC=1C=CC(=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952671