| SpectraBase Compound ID | nNgEjyi0eS |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-4-8-15-11-6-7-12(10(3)9-11)13(14)5-2/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | GWHVDDFSSIANSD-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ko6pXH0xzCU |
|---|---|
| Name | 2'-Methyl-4'-propoxypropiophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-4-8-15-11-6-7-12(10(3)9-11)13(14)5-2/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey | GWHVDDFSSIANSD-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(COC1=CC=C(C(CC)=O)C(=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953703 |