| SpectraBase Compound ID | C9EffyfHoiB |
|---|---|
| InChI | InChI=1S/C9H18OS/c1-3-4-5-6-7-8-9-11(2)10/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | SPUNZGFVXTWYDE-BQYQJAHWSA-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 | 3pjs49oGyEf |
|---|---|
| Name | (E)-1-Methylsulfinyl-2-octene |
| 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/c1-3-4-5-6-7-8-9-11(2)10/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | SPUNZGFVXTWYDE-BQYQJAHWSA-N |
| Molecular Weight | 174.302 g/mol |
| SMILES | C(S(=O)C)\C=C\CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882 |