| SpectraBase Compound ID | 4pHISIGA68k |
|---|---|
| InChI | InChI=1S/C17H16O/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,14H,1,13H2 |
| InChIKey | JRGQZGOJCSLLKA-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C17H16O |
| Exact Mass | 236.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85BigBVYgzZ |
|---|---|
| Name | 2,2-Diphenyl-4-pentenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.120115134 u |
| Formula | C17H16O |
| InChI | InChI=1S/C17H16O/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,14H,1,13H2 |
| InChIKey | JRGQZGOJCSLLKA-UHFFFAOYSA-N |
| Molecular Weight | 236.314 g/mol |
| SMILES | C(C(CC=C)(C=1C=CC=CC1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937027 |