| SpectraBase Compound ID | 1P361lIMHrg |
|---|---|
| InChI | InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+ |
| InChIKey | BWKDAAFSXYPQOS-AOOOYVTPSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BiyLbt2Fw44 |
|---|---|
| Name | cis-2-Phenyl-5-hydroxy-1,3-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+ |
| InChIKey | BWKDAAFSXYPQOS-AOOOYVTPSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | [C@]1(OC[C@](CO1)(O)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.994568 |