| SpectraBase Compound ID | 9Vd0rbK5F6i |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | FLZUYXUBDVKWPO-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KsNC4abd5to |
|---|---|
| Name | p-Acetonylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | FLZUYXUBDVKWPO-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=C(C=CC(=C1)CC(C)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949162 |