| SpectraBase Compound ID | 5hgD6WxPBTk |
|---|---|
| InChI | InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m1/s1 InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m0/s1 |
| InChIKey | OEIJRRGCTVHYTH-HIFRSBDPSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C15H14O2 |
| Exact Mass | 226.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 89ozVlqdiG |
|---|---|
| Name | Trans-3-flavanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.099379689 u |
| Formula | C15H14O2 |
| InChI | InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2/t13-,15+/m1/s1 |
| InChIKey | OEIJRRGCTVHYTH-HIFRSBDPSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | O[C@]1([C@@](OC=2C=CC=CC2C1)(C=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.97618 |