| SpectraBase Compound ID | 22t0QrTgEGv |
|---|---|
| InChI | InChI=1S/C14H12N2O/c17-11-13-6-8-14(9-7-13)16-15-10-12-4-2-1-3-5-12/h1-11,16H/b15-10+ |
| InChIKey | NATIOTXBZQOYMI-XNTDXEJSSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C14H12N2O |
| Exact Mass | 224.094963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3MIW87Uw5RH |
|---|---|
| Name | Schaefferal A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.094963013 u |
| Formula | C14H12N2O |
| InChI | InChI=1S/C14H12N2O/c17-11-13-6-8-14(9-7-13)16-15-10-12-4-2-1-3-5-12/h1-11,16H/b15-10+ |
| InChIKey | NATIOTXBZQOYMI-XNTDXEJSSA-N |
| Molecular Weight | 224.263 g/mol |
| SMILES | C1(N\N=C\C2=CC=CC=C2)=CC=C(C=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955633 |