| SpectraBase Compound ID | 8mDXNBNJMVt |
|---|---|
| InChI | InChI=1S/C11H12O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H3 |
| InChIKey | BXCCPISTXNCJQT-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 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 | 5uINoV8uj2Z |
|---|---|
| Name | 3-Methoxy-1-phenyl-1-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H3 |
| InChIKey | BXCCPISTXNCJQT-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(#CC(OC)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881116 |