| SpectraBase Compound ID | CVDC3umVTz0 |
|---|---|
| InChI | InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10) |
| InChIKey | PWXJULSLLONQHY-UHFFFAOYSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C7H7NO2 |
| Exact Mass | 137.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CRegeBr9N3l |
|---|---|
| Name | Phenylcarbamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.047678467 u |
| Formula | C7H7NO2 |
| InChI | InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10) |
| InChIKey | PWXJULSLLONQHY-UHFFFAOYSA-N |
| Molecular Weight | 137.138 g/mol |
| SMILES | C=1(C=CC=CC1)NC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954928 |