| SpectraBase Compound ID | Nj8EibQ3NO |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-6-8(5-11)3-9(13)4-10(6)7(2)12/h3-5,13H,1-2H3 |
| InChIKey | IPCOCTADUOVJNB-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4tUBbpDEMk0 |
|---|---|
| Name | 3-Acetyl-5-hydroxy-2-methyl-benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-6-8(5-11)3-9(13)4-10(6)7(2)12/h3-5,13H,1-2H3 |
| InChIKey | IPCOCTADUOVJNB-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C=1(C(=C(C=O)C=C(C1)O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915045 |