| SpectraBase Compound ID | LI4DjLXwG4E |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-7-4-5-9(8(2)11)6-10(7)12-3/h4-6H,1-3H3 |
| InChIKey | SZYKDYIBUSNYRS-UHFFFAOYSA-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 | KcNzFDa7Xly |
|---|---|
| Name | 3-Methoxy-4-methyl-acetophenone |
| 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/c1-7-4-5-9(8(2)11)6-10(7)12-3/h4-6H,1-3H3 |
| InChIKey | SZYKDYIBUSNYRS-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C(=O)(C1=CC(OC)=C(C)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962848 |