| SpectraBase Compound ID | KZ5RoyxOMsB |
|---|---|
| InChI | InChI=1S/C9H10N2O2/c10-8(12)6-9(13)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13) |
| InChIKey | LDEGHVGGILPJGN-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C9H10N2O2 |
| Exact Mass | 178.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 264t0l6YlMj |
|---|---|
| Name | N'-Phenylmalonamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.074227568 u |
| Formula | C9H10N2O2 |
| InChI | InChI=1S/C9H10N2O2/c10-8(12)6-9(13)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13) |
| InChIKey | LDEGHVGGILPJGN-UHFFFAOYSA-N |
| Molecular Weight | 178.191 g/mol |
| SMILES | C(CC(=O)N)(NC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985704 |