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{[o-(Methylthio)anilino]methylene}malononitrile
SpectraBase Compound ID DsfHnJNibOR
InChI InChI=1S/C11H9N3S/c1-15-11-5-3-2-4-10(11)14-8-9(6-12)7-13/h2-5,8,14H,1H3
InChIKey KWTPSOSZEVZQPV-UHFFFAOYSA-N
Mol Weight 215.27 g/mol
Molecular Formula C11H9N3S
Exact Mass 215.051718 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FAk7OIztgsF
Name {[o-(Methylthio)anilino]methylene}malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.051718476 u
Formula C11H9N3S
InChI InChI=1S/C11H9N3S/c1-15-11-5-3-2-4-10(11)14-8-9(6-12)7-13/h2-5,8,14H,1H3
InChIKey KWTPSOSZEVZQPV-UHFFFAOYSA-N
Molecular Weight 215.274 g/mol
SMILES N(C1=CC=CC=C1SC)C=C(C#N)C#N
Spectrum/Structure Validation Score (Raman) 0.884762