| SpectraBase Compound ID | Khd3B3PFin7 |
|---|---|
| InChI | InChI=1S/C7H14O2S/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9) |
| InChIKey | MMLQWAQADPXFSD-UHFFFAOYSA-N |
| Mol Weight | 162.25 g/mol |
| Molecular Formula | C7H14O2S |
| Exact Mass | 162.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaN26IHaGAc |
|---|---|
| Name | Propionic acid, 3-(tert-butylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.071450863 u |
| Formula | C7H14O2S |
| InChI | InChI=1S/C7H14O2S/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9) |
| InChIKey | MMLQWAQADPXFSD-UHFFFAOYSA-N |
| Molecular Weight | 162.247 g/mol |
| SMILES | C(SC(C)(C)C)CC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973151 |