| SpectraBase Compound ID | 100R5nH6B3M |
|---|---|
| InChI | InChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2 |
| InChIKey | BXEIAIJHNZRHPQ-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JmBMLlh0SG8 |
|---|---|
| Name | 3-Benzyl-4-hydroxy-2(5H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2 |
| InChIKey | BXEIAIJHNZRHPQ-UHFFFAOYSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | OC=1COC(C1CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.968203 |