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3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione

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

3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione
SpectraBase Compound ID FCg7Kwl70w1
InChI InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey UTKZLNADJQUIFU-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID C1FbrLaiaGh
Name 3-[(p-Nitroanilino)methyl]-2-benzothiazolinethione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.029268952 u
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2
InChIKey UTKZLNADJQUIFU-UHFFFAOYSA-N
Molecular Weight 317.381 g/mol
SMILES N(C1=CC=C(C=C1)N(=O)=O)CN1C=2C=CC=CC2SC1=S
Spectrum/Structure Validation Score (Raman) 0.950904