| SpectraBase Compound ID | 4hUtsAxELKs |
|---|---|
| InChI | InChI=1S/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2 |
| InChIKey | CWSQRPNIIOUPKK-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KECqeYdZKEO |
|---|---|
| Name | 2'-Hydroxy-3,4(methylenedioxy)chalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2 |
| InChIKey | CWSQRPNIIOUPKK-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=CC1)C(C=CC=1C=CC=2OCOC2C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.956678 |