| SpectraBase Compound ID | 37Yd1PpsdCW |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1 |
| InChIKey | LHZGJMJGFSFWIZ-PHDIDXHHSA-N |
| Mol Weight | 132.22 g/mol |
| Molecular Formula | C6H12OS |
| Exact Mass | 132.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4CWq5xcgrMI |
|---|---|
| Name | Thiiranemethanol, 3-propyl-, (2R-trans)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.060886179 u |
| Formula | C6H12OS |
| InChI | InChI=1S/C6H12OS/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6-/m1/s1 |
| InChIKey | LHZGJMJGFSFWIZ-PHDIDXHHSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | [C@]1(S[C@@]1(CCC)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945246 |