| SpectraBase Compound ID | Ib3TGRiihCG |
|---|---|
| InChI | InChI=1S/C19H14O3/c20-17-14-10-4-5-11-15(14)18(21)19(22)16(17)12-6-9-13-7-2-1-3-8-13/h1-11,22H,12H2 |
| InChIKey | AZMXFTZBGIZOQC-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C19H14O3 |
| Exact Mass | 290.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 54PvU2HxbnU |
|---|---|
| Name | 2-Cinnamyl-3-hydroxy-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.094294308 u |
| Formula | C19H14O3 |
| InChI | InChI=1S/C19H14O3/c20-17-14-10-4-5-11-15(14)18(21)19(22)16(17)12-6-9-13-7-2-1-3-8-13/h1-11,22H,12H2 |
| InChIKey | AZMXFTZBGIZOQC-UHFFFAOYSA-N |
| SMILES | OC=1C(=O)C=2C=CC=CC2C(C1CC=CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979613 |