| SpectraBase Compound ID | C3nmkZd15kV |
|---|---|
| InChI | InChI=1S/C16H24O2S/c1-4-6-7-9-15(8-5-2)19(17,18)16-12-10-14(3)11-13-16/h7,9-13,15H,4-6,8H2,1-3H3/b9-7+ |
| InChIKey | QIJUDVKWSWFCND-VQHVLOKHSA-N |
| Mol Weight | 280.43 g/mol |
| Molecular Formula | C16H24O2S |
| Exact Mass | 280.149701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H4LD5yn2EKz |
|---|---|
| Name | (E)-6-Tosyl-4-nonene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.149701185 u |
| Formula | C16H24O2S |
| InChI | InChI=1S/C16H24O2S/c1-4-6-7-9-15(8-5-2)19(17,18)16-12-10-14(3)11-13-16/h7,9-13,15H,4-6,8H2,1-3H3/b9-7+ |
| InChIKey | QIJUDVKWSWFCND-VQHVLOKHSA-N |
| SMILES | C=1(S(=O)(=O)C(\C=C\CCC)CCC)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907362 |