| SpectraBase Compound ID | EbeEV5AgMWQ |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8H,9H2,1-4H3 |
| InChIKey | YKPIPMQXBHRVHG-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 | 9152fJ5u4uC |
|---|---|
| Name | 2-Methyl-2-(4'-methoxyphenyl)pentanone-4 |
| 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/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8H,9H2,1-4H3 |
| InChIKey | YKPIPMQXBHRVHG-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | CC(C1=CC=C(C=C1)OC)(C)CC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965922 |