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[bis(Benzylthio)methylene]malononitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

[bis(Benzylthio)methylene]malononitrile
SpectraBase Compound ID DmYO23N0NXB
InChI InChI=1S/C18H14N2S2/c19-11-17(12-20)18(21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,13-14H2
InChIKey JPFFLTWFOKQZFP-UHFFFAOYSA-N
Mol Weight 322.44 g/mol
Molecular Formula C18H14N2S2
Exact Mass 322.059841 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JThVtiQXtWd
Name [bis(Benzylthio)methylene]malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.059840807 u
Formula C18H14N2S2
InChI InChI=1S/C18H14N2S2/c19-11-17(12-20)18(21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,13-14H2
InChIKey JPFFLTWFOKQZFP-UHFFFAOYSA-N
Molecular Weight 322.444 g/mol
SMILES C=1C(=CC=CC1)CSC(SCC=1C=CC=CC1)=C(C#N)C#N
Spectrum/Structure Validation Score (Raman) 0.948583