| SpectraBase Compound ID | 1RBuRwCHk4A |
|---|---|
| InChI | InChI=1S/C17H16/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16/h1-12H,13-14H2 |
| InChIKey | UELWVUZWOUTXQH-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C17H16 |
| Exact Mass | 220.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6YTO2Pb9xGb |
|---|---|
| Name | 4,4-Diphenylcyclopentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.125200515 u |
| Formula | C17H16 |
| InChI | InChI=1S/C17H16/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16/h1-12H,13-14H2 |
| InChIKey | UELWVUZWOUTXQH-UHFFFAOYSA-N |
| Molecular Weight | 220.315 g/mol |
| SMILES | C1(C2=CC=CC=C2)(C=2C=CC=CC2)CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98097 |