| SpectraBase Compound ID | 80Kyh0yFL2e |
|---|---|
| InChI | InChI=1S/C10H12O/c1-8-4-3-5-10(6-8)9(2)7-11/h3-7,9H,1-2H3 |
| InChIKey | BQOMLDKKNSTBKM-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ieGBTbMW62 |
|---|---|
| Name | 2-m-Tolyl-propionaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-8-4-3-5-10(6-8)9(2)7-11/h3-7,9H,1-2H3 |
| InChIKey | BQOMLDKKNSTBKM-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C(C(C)C=1C=C(C=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911237 |