| SpectraBase Compound ID | LW1xuShMLmx |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-9(2)13(14)10(3)11-6-5-7-12(8-11)15-4/h5-10H,1-4H3 |
| InChIKey | VTBLSUFAAURBIG-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IEQ8SWYDjZM |
|---|---|
| Name | 2-(3'-Methoxyphenyl)-4-methyl-3-pentanone |
| 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/c1-9(2)13(14)10(3)11-6-5-7-12(8-11)15-4/h5-10H,1-4H3 |
| InChIKey | VTBLSUFAAURBIG-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(C=1C=C(OC)C=CC1)C)(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860107 |