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6-[(2,4-Dinitrophenyl)thio]-m-phenetidine

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 UV-Vis

6-[(2,4-Dinitrophenyl)thio]-m-phenetidine
SpectraBase Compound ID KGPqXwQnUKc
InChI InChI=1S/C14H13N3O5S/c1-2-22-10-4-6-13(11(15)8-10)23-14-5-3-9(16(18)19)7-12(14)17(20)21/h3-8H,2,15H2,1H3
InChIKey QVILVTLUTYLHGM-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C14H13N3O5S
Exact Mass 335.057592 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IwByROVfpIo
Name 6-[(2,4-Dinitrophenyl)thio]-m-phenetidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.057591700 u
Formula C14H13N3O5S
InChI InChI=1S/C14H13N3O5S/c1-2-22-10-4-6-13(11(15)8-10)23-14-5-3-9(16(18)19)7-12(14)17(20)21/h3-8H,2,15H2,1H3
InChIKey QVILVTLUTYLHGM-UHFFFAOYSA-N
SMILES NC=1C=C(C=CC1SC=1C=CC(=CC1N(=O)=O)N(=O)=O)OCC
Spectrum/Structure Validation Score (Raman) 0.901223