| SpectraBase Compound ID | BAJIp4diT1k |
|---|---|
| InChI | InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3 |
| InChIKey | XJIRSLHMKBUGMR-UHFFFAOYSA-N |
| Mol Weight | 118.24 g/mol |
| Molecular Formula | C6H14S |
| Exact Mass | 118.081622 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8pfTQks2Ngw |
|---|---|
| Name | N-Butyl ethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.081621625 u |
| Formula | C6H14S |
| InChI | InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3 |
| InChIKey | XJIRSLHMKBUGMR-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | CCCCSCC |
| Spectrum/Structure Validation Score (Raman) | 0.835338 |