SpectraBase Compound ID | axh6pEPt35 |
---|---|
InChI | InChI=1S/C10H6N2O/c11-6-8(7-12)5-9-3-1-2-4-10(9)13/h1-5,13H |
InChIKey | FHSXHHWBTYNRBD-UHFFFAOYSA-N |
Mol Weight | 170.17 g/mol |
Molecular Formula | C10H6N2O |
Exact Mass | 170.048013 g/mol |
SpectraBase Spectrum ID | 14SUEaG6CXJ |
---|---|
Name | 2-(2-Hydroxybenzylidene)malononitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.048012820 u |
Formula | C10H6N2O |
InChI | InChI=1S/C10H6N2O/c11-6-8(7-12)5-9-3-1-2-4-10(9)13/h1-5,13H |
InChIKey | FHSXHHWBTYNRBD-UHFFFAOYSA-N |
Molecular Weight | 170.171 g/mol |
SMILES | C(#N)C(=CC1=C(C=CC=C1)O)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90378 |