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 |
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 |