| SpectraBase Compound ID | JW5V6MtT5Ed |
|---|---|
| InChI | InChI=1S/C5H10OS/c1-4-5(6-4)2-3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1 |
| InChIKey | QWXWOHUJWQNFGM-RFZPGFLSSA-N |
| Mol Weight | 118.19 g/mol |
| Molecular Formula | C5H10OS |
| Exact Mass | 118.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6oDUOxVjqvA |
|---|---|
| Name | (3R,4R)-1-Mercapto-3,4-epoxypentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.045236115 u |
| Formula | C5H10OS |
| InChI | InChI=1S/C5H10OS/c1-4-5(6-4)2-3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1 |
| InChIKey | QWXWOHUJWQNFGM-RFZPGFLSSA-N |
| Molecular Weight | 118.194 g/mol |
| SMILES | C(C[C@@]1([C@@](C)(O1)[H])[H])S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875474 |