| SpectraBase Compound ID | 7xdEOGHZaMc |
|---|---|
| InChI | InChI=1S/C13H14O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | HSFBJUJAIDNREV-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 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 | 1IWXu63bcNe |
|---|---|
| Name | 1-Phenylhept-2-yn-1-one |
| 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/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4H2,1H3 |
| InChIKey | HSFBJUJAIDNREV-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(#CCCCC)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914325 |