| SpectraBase Compound ID | EAj4A28ntX8 |
|---|---|
| InChI | InChI=1S/C9H13NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-6,9-13H,1H3 |
| InChIKey | RNFWMLGHKOOCFH-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C9H13NO3 |
| Exact Mass | 183.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HrhD3wfihm |
|---|---|
| Name | Benzoic acid, 4-(acetylamino)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.089543280 u |
| Formula | C9H13NO3 |
| InChI | InChI=1S/C9H13NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-6,9-13H,1H3 |
| InChIKey | RNFWMLGHKOOCFH-UHFFFAOYSA-N |
| Molecular Weight | 183.207 g/mol |
| Nominal Mass | 183 u |
| SMILES | OC(C)Nc1ccc(C(O)O)cc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837929 |