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3'-Cyano-2,5-dichlorothiocarbanilide

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

3'-Cyano-2,5-dichlorothiocarbanilide
SpectraBase Compound ID G4I3ltYTfQp
InChI InChI=1S/C14H9Cl2N3S/c15-10-4-5-12(16)13(7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20)
InChIKey ITWQPHQXBQXNLN-UHFFFAOYSA-N
Mol Weight 322.21 g/mol
Molecular Formula C14H9Cl2N3S
Exact Mass 320.989424 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KcumPjEr86C
Name 3'-Cyano-2,5-dichlorothiocarbanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.989423876 u
Formula C14H9Cl2N3S
InChI InChI=1S/C14H9Cl2N3S/c15-10-4-5-12(16)13(7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20)
InChIKey ITWQPHQXBQXNLN-UHFFFAOYSA-N
Molecular Weight 322.213 g/mol
SMILES N(C1=CC=CC(=C1)C#N)C(NC=1C(=CC=C(C1)Cl)Cl)=S
Spectrum/Structure Validation Score (Raman) 0.753307