| SpectraBase Compound ID | 2kjp0CiTUXU |
|---|---|
| InChI | InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h2,4,7-8H,1,3,5-6H2 |
| InChIKey | JAAGNTYPMJXVNX-UHFFFAOYSA-N |
| Mol Weight | 120.19 g/mol |
| Molecular Formula | C9H12 |
| Exact Mass | 120.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DuC075dJSQ0 |
|---|---|
| Name | 2-Allylcyclohexa-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.093900386 u |
| Formula | C9H12 |
| InChI | InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h2,4,7-8H,1,3,5-6H2 |
| InChIKey | JAAGNTYPMJXVNX-UHFFFAOYSA-N |
| Molecular Weight | 120.195 g/mol |
| SMILES | C=1(C=CCCC1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973808 |