| SpectraBase Compound ID | LSh6gcB9JaU |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3 |
| InChIKey | WYZCSAAUPJMKQX-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1nDu6mCAEBU |
|---|---|
| Name | 2-Hydroxy-3-methyl-1-phenylbut-3-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3 |
| InChIKey | WYZCSAAUPJMKQX-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C(C(=C)C)O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813258 |