| SpectraBase Compound ID | HNM55CXNLpi |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-5-6(4-2)7-5/h5-6H,3-4H2,1-2H3 |
| InChIKey | PCGTXZMDZGOMJG-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 | LQ0Z7R6w8QY |
|---|---|
| Name | (E)-3,4-Epoxyhexane |
| 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/c1-3-5-6(4-2)7-5/h5-6H,3-4H2,1-2H3 |
| InChIKey | PCGTXZMDZGOMJG-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C1(OC1CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.86222 |