| SpectraBase Compound ID | FIm5dFXHHCO |
|---|---|
| InChI | InChI=1S/C13H18O/c1-10(2)4-9-13(14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | PPEFLCWGGLBAGA-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 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 | JybvdtuM7uI |
|---|---|
| Name | 1-Pentanone, 4-methyl-1-(4-methylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-10(2)4-9-13(14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | PPEFLCWGGLBAGA-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(=O)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962485 |