| SpectraBase Compound ID | Ci8KZibPazd |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3 |
| InChIKey | NOBKCEXLDDGYID-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2pEqDccVGDz |
|---|---|
| Name | 3-Isopropoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3 |
| InChIKey | NOBKCEXLDDGYID-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(OC(C)C)=CC(C=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96398 |