| SpectraBase Compound ID | BwAJwAZ23DR |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6H,7H2,1-2H3 |
| InChIKey | QUJLIVXSZICSBC-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 47z215vDSaB |
|---|---|
| Name | 2-Propanone, 1-(4-acetylphenoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6H,7H2,1-2H3 |
| InChIKey | QUJLIVXSZICSBC-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | CC(=O)COC1=CC=C(C=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94102 |