| SpectraBase Compound ID | FvPIWo2lgVW |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-11(2,3)14(12,13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | ZENYDXCNBNPHRU-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C11H16O2S |
| Exact Mass | 212.087101 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8f3tf9uYEp5 |
|---|---|
| Name | Benzyl tert-butyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.087100927 u |
| Formula | C11H16O2S |
| InChI | InChI=1S/C11H16O2S/c1-11(2,3)14(12,13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | ZENYDXCNBNPHRU-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | CC(C)(S(CC1=CC=CC=C1)(=O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.984239 |