| SpectraBase Compound ID | CaEqMQXdx08 |
|---|---|
| InChI | InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2 |
| InChIKey | YFMPSMITLLBENU-UHFFFAOYSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpZThMZk98j |
|---|---|
| Name | 1,2-Benzenediol, 4-(aminomethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2 |
| InChIKey | YFMPSMITLLBENU-UHFFFAOYSA-N |
| Molecular Weight | 139.154 g/mol |
| SMILES | C1(=C(C=C(C=C1)CN)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905173 |