| SpectraBase Compound ID | 2AqQ839zY76 |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-3-5(7)6-4-8-6/h5-7H,2-4H2,1H3/t5-,6+/m1/s1 |
| InChIKey | ATPOZSUPSQATIN-RITPCOANSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3oRK4Jma37Z |
|---|---|
| Name | (2R,3R)-1,2-Epoxy-3-hexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-2-3-5(7)6-4-8-6/h5-7H,2-4H2,1H3/t5-,6+/m1/s1 |
| InChIKey | ATPOZSUPSQATIN-RITPCOANSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | [C@]1(OC1)([C@](O)(CCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955365 |