| SpectraBase Compound ID | 29t0OlsPUkB |
|---|---|
| InChI | InChI=1S/C13H10O/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-7H,4,8H2 |
| InChIKey | WQHOHTWGUPWLLQ-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C13H10O |
| Exact Mass | 182.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3u230s1OIA4 |
|---|---|
| Name | 2-Phenylethynylcyclopenten-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.073164941 u |
| Formula | C13H10O |
| InChI | InChI=1S/C13H10O/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-7H,4,8H2 |
| InChIKey | WQHOHTWGUPWLLQ-UHFFFAOYSA-N |
| Molecular Weight | 182.222 g/mol |
| SMILES | C1(C(=CCC1)C#CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968123 |