| SpectraBase Compound ID | 1cWeU4QCh5w |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3 |
| InChIKey | XIYKRJLTYKUWAM-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KnHA6LoM9eS |
|---|---|
| Name | Piperonyl methyl ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3 |
| InChIKey | XIYKRJLTYKUWAM-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C=12C=C(C=CC1OCO2)CC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.973397 |