| SpectraBase Compound ID | Ek6OF6F9dGl |
|---|---|
| InChI | InChI=1S/C14H12O/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,10-11H,9H2 |
| InChIKey | KDNKMJQIBXTTJZ-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C14H12O |
| Exact Mass | 196.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOFQIwqsnvL |
|---|---|
| Name | Biphenyl-3-acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.088815005 u |
| Formula | C14H12O |
| InChI | InChI=1S/C14H12O/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,10-11H,9H2 |
| InChIKey | KDNKMJQIBXTTJZ-UHFFFAOYSA-N |
| Molecular Weight | 196.249 g/mol |
| SMILES | C=1(C=C(CC=O)C=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881239 |