| SpectraBase Compound ID | FiKGFKhKFa9 |
|---|---|
| InChI | InChI=1S/C13H12/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h2-4,6-10H,1,5H2 |
| InChIKey | SPOPFXRSBQPLLV-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C13H12 |
| Exact Mass | 168.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GtVUv0wtnQM |
|---|---|
| Name | 2-Allylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.093900386 u |
| Formula | C13H12 |
| InChI | InChI=1S/C13H12/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h2-4,6-10H,1,5H2 |
| InChIKey | SPOPFXRSBQPLLV-UHFFFAOYSA-N |
| Molecular Weight | 168.239 g/mol |
| SMILES | C12=CC=CC=C2C=CC(=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869026 |