| SpectraBase Compound ID | 9q6OqbhHdN4 |
|---|---|
| InChI | InChI=1S/C20H18/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-14H,15-16H2 |
| InChIKey | LTGXPINWZFIICV-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C20H18 |
| Exact Mass | 258.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H7arXp2eox2 |
|---|---|
| Name | p-Dibenzylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.140850580 u |
| Formula | C20H18 |
| InChI | InChI=1S/C20H18/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-14H,15-16H2 |
| InChIKey | LTGXPINWZFIICV-UHFFFAOYSA-N |
| Molecular Weight | 258.364 g/mol |
| SMILES | C1=C(C=CC(=C1)CC=1C=CC=CC1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98116 |