| SpectraBase Compound ID | 5Iw4NxQL7Zo |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-8(12)11(2)9-5-4-6-10(7-9)13-3/h4-7H,1-3H3 |
| InChIKey | ZWDMLQALYVVXTM-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IExvUVuwNZT |
|---|---|
| Name | 3-Acetamidophenol 2me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-8(12)11(2)9-5-4-6-10(7-9)13-3/h4-7H,1-3H3 |
| InChIKey | ZWDMLQALYVVXTM-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1(N(C(=O)C)C)=CC(=CC=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806834 |