| SpectraBase Compound ID | DcPZ7gnGJOZ |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-5,9H,6H2,1-3H3 |
| InChIKey | LLSYTODMUIRKFN-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GLqDb77DEa5 |
|---|---|
| Name | 2,5,7-Trimethyl-4-chromanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-5,9H,6H2,1-3H3 |
| InChIKey | LLSYTODMUIRKFN-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C=12C(=CC(=CC1OC(CC2=O)C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.925245 |