| SpectraBase Compound ID | 5Z1NxMwZvzY |
|---|---|
| InChI | InChI=1S/C11H16O3/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2 |
| InChIKey | TVRPDIKPMQUOSL-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ALHjT9Oh8q |
|---|---|
| Name | (R,S)-4-o-Benzylbutane-1,2,4-triol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2 |
| InChIKey | TVRPDIKPMQUOSL-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(O)C(O)CCOCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907114 |