| SpectraBase Compound ID | GE1TSDHmPUs |
|---|---|
| InChI | InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3 |
| InChIKey | SJXQSPLLUXAJQJ-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C9H8N2O |
| Exact Mass | 160.063663 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9Nfe0Ksu4gM |
|---|---|
| Name | 4'-Amino-3'-cyanoacetophenone; anthranilonitrile, 5-acetyl-; benzonitrile, 5-acetyl-2-amino- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.063662885 u |
| Formula | C9H8N2O |
| InChI | InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3 |
| InChIKey | SJXQSPLLUXAJQJ-UHFFFAOYSA-N |
| SMILES | NC1=C(C=C(C=C1)C(C)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.724757 |