| SpectraBase Compound ID | KjRIfsuOKzj |
|---|---|
| InChI | InChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-5,10H,6H2 |
| InChIKey | XVHIUKSUZLPFCP-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KfMGTRUmedb |
|---|---|
| Name | 2-(Hydroxymethyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.052429496 u |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-5,10H,6H2 |
| InChIKey | XVHIUKSUZLPFCP-UHFFFAOYSA-N |
| Molecular Weight | 136.150 g/mol |
| SMILES | C=1(C(CO)=CC=CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880888 |