| SpectraBase Compound ID | 9AprcOx6GQr |
|---|---|
| InChI | InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,6-7,9H,3,5,8H2,1H3/b6-2+ |
| InChIKey | ZRARUBPHYPNEAP-QHHAFSJGSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ENMCD3VNoqZ |
|---|---|
| Name | 3-Allylcyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,4,6-7,9H,3,5,8H2,1H3/b6-2+ |
| InChIKey | ZRARUBPHYPNEAP-QHHAFSJGSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C1=CC(\C=C\C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938288 |