![2-[(2S,3S)-3-ethyl-2-oxiranyl]ethanol](/api/spectrum/B4KlKT0XJPj/structure.png?h=300&w=458 "2-[(2S,3S)-3-ethyl-2-oxiranyl]ethanol")
| SpectraBase Compound ID | I8KIDUmMh12 |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1 |
| InChIKey | STHLKDCSDYFCCW-WDSKDSINSA-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 | B4KlKT0XJPj |
|---|---|
| Name | 2-[(2S,3S)-3-Ethyl-2-oxiranyl]ethanol |
| 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/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1 |
| InChIKey | STHLKDCSDYFCCW-WDSKDSINSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | [C@@]1(O[C@]1(CC)[H])(CCO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945084 |