| SpectraBase Compound ID | 7Ga0qplkXds |
|---|---|
| InChI | InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | SIYISNUJKMAQBV-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 | H2tsaZCCspE |
|---|---|
| Name | para-Benzyl-toluol |
| 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/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | SIYISNUJKMAQBV-UHFFFAOYSA-N |
| Molecular Weight | 182.266 g/mol |
| SMILES | C=1C(CC=2C=CC(C)=CC2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952468 |