| SpectraBase Compound ID | 2s6MtO8drKR |
|---|---|
| InChI | InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3 |
| InChIKey | HEAYDCIZOFDHRM-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6ZX06XmN7P |
|---|---|
| Name | Tert.-butyloxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3 |
| InChIKey | HEAYDCIZOFDHRM-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C1OC1C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.974928 |