| SpectraBase Compound ID | Lxb3qzPnvdi |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3 |
| InChIKey | DCICOAQYEJUDCY-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8wtL2m5Y9aj |
|---|---|
| Name | 2-Hydroxy-1-phenylhexane-1,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3 |
| InChIKey | DCICOAQYEJUDCY-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1=C(C=CC=C1)C(C(CCC(C)=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942185 |