| SpectraBase Compound ID | Q6KBXWghWQ |
|---|---|
| InChI | InChI=1S/C12H12O/c1-12(2)11(13-12)9-8-10-6-4-3-5-7-10/h3-7,11H,1-2H3 |
| InChIKey | OHKNPZKBJHHDCG-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 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 | 9YHM4avVMLs |
|---|---|
| Name | Oxirane, 2,2-dimethyl-3-(2-phenylethynyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-12(2)11(13-12)9-8-10-6-4-3-5-7-10/h3-7,11H,1-2H3 |
| InChIKey | OHKNPZKBJHHDCG-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C1(OC1(C)C)C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9062 |