| SpectraBase Compound ID | 67Dx1roIkmP |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1 |
| InChIKey | IKOAVSIGNGDTNP-MRVPVSSYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EOIh76GCAS |
|---|---|
| Name | (3R)-3-Hydroxy-1-phenyl-1-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1 |
| InChIKey | IKOAVSIGNGDTNP-MRVPVSSYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C(C[C@](O)(C)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977415 |