| SpectraBase Compound ID | DTDKvgcGe8L |
|---|---|
| InChI | InChI=1S/C9H12O/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3 |
| InChIKey | IVFJPARIJHUGPZ-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlQ7fj4h7y7 |
|---|---|
| Name | 3-Ethyl-2-methylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3 |
| InChIKey | IVFJPARIJHUGPZ-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C=1(C(=C(C=CC1)CC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848667 |