| SpectraBase Compound ID | 41ubvTb9u4k |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3 |
| InChIKey | RVBJGSPBFIUTTR-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 | HVGHRpU612T |
|---|---|
| Name | 1-(3',4'-Dioxymethylenephenyl)-propan-1-one |
| 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/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3 |
| InChIKey | RVBJGSPBFIUTTR-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=2OCOC2C=C(C(=O)CC)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.930148 |