| SpectraBase Compound ID | 7461itOZlth |
|---|---|
| InChI | InChI=1S/C9H18OS/c1-7(2)8(6-10)11-9(3,4)5/h6-8H,1-5H3/t8-/m1/s1 |
| InChIKey | UPJHNKVYTNZLTL-MRVPVSSYSA-N |
| Mol Weight | 174.3 g/mol |
| Molecular Formula | C9H18OS |
| Exact Mass | 174.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ljilb9oBX7 |
|---|---|
| Name | (S)-(+)-2-T-butylthio-3-methylbutanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.107836373 u |
| Formula | C9H18OS |
| InChI | InChI=1S/C9H18OS/c1-7(2)8(6-10)11-9(3,4)5/h6-8H,1-5H3/t8-/m1/s1 |
| InChIKey | UPJHNKVYTNZLTL-MRVPVSSYSA-N |
| Molecular Weight | 174.302 g/mol |
| SMILES | [C@](SC(C)(C)C)(C=O)(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871741 |