| SpectraBase Compound ID | CsosU8P62Fg |
|---|---|
| InChI | InChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | SYPFSRGLVGENFO-VOTSOKGWSA-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 | Edem35seUrJ |
|---|---|
| Name | (E)-3-Mesylhex-3-ene |
| 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/c1-4-6-7(5-2)10(3,8)9/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | SYPFSRGLVGENFO-VOTSOKGWSA-N |
| Molecular Weight | 162.247 g/mol |
| SMILES | CS(=O)(\C(=C\CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929692 |