| SpectraBase Compound ID | 7kYD5oOaTTl |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-2-10(12)11(13)8-9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3 |
| InChIKey | BLINVGVCILRBBV-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5XlawRXE9r |
|---|---|
| Name | 2-Hydroxy-1-phenyl-3-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-2-10(12)11(13)8-9-6-4-3-5-7-9/h3-7,11,13H,2,8H2,1H3 |
| InChIKey | BLINVGVCILRBBV-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C(CC1=CC=CC=C1)O)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95846 |