| SpectraBase Compound ID | 8ZGWL3WeDit |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3 |
| InChIKey | XUYBNDHXZMIALN-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6yEODh1qmKD |
|---|---|
| Name | 4-(3,4-Dimethoxyphenyl)-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3 |
| InChIKey | XUYBNDHXZMIALN-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)C=CC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9697 |