| SpectraBase Compound ID | 6AetKXbGv8R |
|---|---|
| InChI | InChI=1S/C17H14/c1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3 |
| InChIKey | ZXXGUXICWKNYJD-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C17H14 |
| Exact Mass | 218.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LQoJpzZFOav |
|---|---|
| Name | 2-(4-Methylphenyl)-naphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.109550451 u |
| Formula | C17H14 |
| InChI | InChI=1S/C17H14/c1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3 |
| InChIKey | ZXXGUXICWKNYJD-UHFFFAOYSA-N |
| Molecular Weight | 218.299 g/mol |
| SMILES | CC1=CC=C(C2=CC3=C(C=C2)C=CC=C3)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823972 |