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p-[(2,6-Dinitro-p-tolyl)thio]anisole

View entire compound with spectra: 1 FTIR, and 1 Raman

p-[(2,6-Dinitro-p-tolyl)thio]anisole
SpectraBase Compound ID 2cNd6LBfu0j
InChI InChI=1S/C14H12N2O5S/c1-9-7-12(15(17)18)14(13(8-9)16(19)20)22-11-5-3-10(21-2)4-6-11/h3-8H,1-2H3
InChIKey DOTZLBHLBGGAIN-UHFFFAOYSA-N
Mol Weight 320.32 g/mol
Molecular Formula C14H12N2O5S
Exact Mass 320.046693 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IGkZ5nCNJ4d
Name p-[(2,6-Dinitro-p-tolyl)thio]anisole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.046692663 u
Formula C14H12N2O5S
InChI InChI=1S/C14H12N2O5S/c1-9-7-12(15(17)18)14(13(8-9)16(19)20)22-11-5-3-10(21-2)4-6-11/h3-8H,1-2H3
InChIKey DOTZLBHLBGGAIN-UHFFFAOYSA-N
Molecular Weight 320.319 g/mol
SMILES COC1=CC=C(C=C1)SC=1C(=CC(C)=CC1N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.795167