| SpectraBase Compound ID | 4dshvLM6UYZ |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-6H,1-2H3 |
| InChIKey | GTDZZGXPNBEXGP-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2J1zJZ4eifY |
|---|---|
| Name | 4-(2-Methoxyphenyl)but-3-yn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-6H,1-2H3 |
| InChIKey | GTDZZGXPNBEXGP-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(#CC(=O)C)C1=C(OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922547 |