| SpectraBase Compound ID | K8gMUhBrRtF |
|---|---|
| InChI | InChI=1S/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | SPAOQNOLRMENDZ-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C10H10N2O |
| Exact Mass | 174.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A24wBj3MRLX |
|---|---|
| Name | 4-Acetamidophenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.079312949 u |
| Formula | C10H10N2O |
| InChI | InChI=1S/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | SPAOQNOLRMENDZ-UHFFFAOYSA-N |
| Molecular Weight | 174.203 g/mol |
| SMILES | C1=C(C=CC(=C1)NC(C)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833562 |