| SpectraBase Compound ID | 5mrD007JOTG |
|---|---|
| InChI | InChI=1S/C11H12O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,6,10H2,1H3 |
| InChIKey | BJMAHNCTBDDOAO-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XZhnTOUb9p |
|---|---|
| Name | 4-Methoxybut-1-ynylbenzene |
| 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/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,6,10H2,1H3 |
| InChIKey | BJMAHNCTBDDOAO-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(#CCCOC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928909 |