| SpectraBase Compound ID | 3baQuifhVmU |
|---|---|
| InChI | InChI=1S/C15H18/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3,6-8,10-13H,1-2,4-5,9H2/b13-12+ |
| InChIKey | MUCFYYHSVMGUTK-OUKQBFOZSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C15H18 |
| Exact Mass | 198.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8DJIsouxpno |
|---|---|
| Name | (E)-1-Styrylcycloheptene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.140850580 u |
| Formula | C15H18 |
| InChI | InChI=1S/C15H18/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3,6-8,10-13H,1-2,4-5,9H2/b13-12+ |
| InChIKey | MUCFYYHSVMGUTK-OUKQBFOZSA-N |
| Molecular Weight | 198.309 g/mol |
| SMILES | C1(\C=C\C=2C=CC=CC2)=CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842017 |