![2-Phenylbicyclo[2.2.2]octa-2,5-diene](/api/spectrum/70RsJW6JvMi/structure.png?h=300&w=458 "2-Phenylbicyclo[2.2.2]octa-2,5-diene")
| SpectraBase Compound ID | LCegPoO4sUX |
|---|---|
| InChI | InChI=1S/C14H14/c1-2-4-12(5-3-1)14-10-11-6-8-13(14)9-7-11/h1-6,8,10-11,13H,7,9H2 |
| InChIKey | RJIPZLBZTZIVPK-UHFFFAOYSA-N |
| Mol Weight | 182.27 g/mol |
| Molecular Formula | C14H14 |
| Exact Mass | 182.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 70RsJW6JvMi |
|---|---|
| Name | 2-Phenylbicyclo[2.2.2]octa-2,5-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.109550451 u |
| Formula | C14H14 |
| InChI | InChI=1S/C14H14/c1-2-4-12(5-3-1)14-10-11-6-8-13(14)9-7-11/h1-6,8,10-11,13H,7,9H2 |
| InChIKey | RJIPZLBZTZIVPK-UHFFFAOYSA-N |
| Molecular Weight | 182.266 g/mol |
| SMILES | C1(=CC2C=CC1CC2)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927279 |