| SpectraBase Compound ID | 80twmg9ujc5 |
|---|---|
| InChI | InChI=1S/C8H18OS/c1-4-7(2)8(10)5-6-9-3/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1 |
| InChIKey | BSFUDLANLXNYQV-SFYZADRCSA-N |
| Mol Weight | 162.29 g/mol |
| Molecular Formula | C8H18OS |
| Exact Mass | 162.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KIA4NOsGRa1 |
|---|---|
| Name | U-1-Methoxy-4-methylhexane-3-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.107836373 u |
| Formula | C8H18OS |
| InChI | InChI=1S/C8H18OS/c1-4-7(2)8(10)5-6-9-3/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1 |
| InChIKey | BSFUDLANLXNYQV-SFYZADRCSA-N |
| Molecular Weight | 162.291 g/mol |
| SMILES | [C@@]([C@](CCOC)(S)[H])(CC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887524 |