| SpectraBase Compound ID | HqTx7dwwaDU |
|---|---|
| InChI | InChI=1S/C13H14O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,7,11H2,1H3 |
| InChIKey | IHEXYLSZVIABFA-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 | 9gAaNfrMdb0 |
|---|---|
| Name | 7-Phenyl-6-heptyn-3-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/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,7,11H2,1H3 |
| InChIKey | IHEXYLSZVIABFA-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(#CCCC(=O)CC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896547 |