| SpectraBase Compound ID | CKf2torvafp |
|---|---|
| InChI | InChI=1S/C8H9NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4,10H,5H2,(H2,9,11) |
| InChIKey | CBNMHHVYVQEPCW-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K4EvqqgXuW4 |
|---|---|
| Name | 4-Hydroxymethylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4,10H,5H2,(H2,9,11) |
| InChIKey | CBNMHHVYVQEPCW-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)CO)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901612 |