| SpectraBase Compound ID | EWuhtm0BaR1 |
|---|---|
| InChI | InChI=1S/C13H14O/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+ |
| InChIKey | ARBZJQANXYUBNI-VOTSOKGWSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1BPNBdMZ4L4 |
|---|---|
| Name | 3-Styrylcyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+ |
| InChIKey | ARBZJQANXYUBNI-VOTSOKGWSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C1(\C=C\C=2C=CC=CC2)CC(=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973049 |