| SpectraBase Compound ID | 7ds7e5AY7kT |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,9H2,1-2H3 |
| InChIKey | MIQNLQOOBQSELT-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CANhLFiMdhY |
|---|---|
| Name | Propynyl 3-methoxybenzyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-3-7-13-9-10-5-4-6-11(8-10)12-2/h4-6,8H,9H2,1-2H3 |
| InChIKey | MIQNLQOOBQSELT-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(#CC)OCC=1C=C(OC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936156 |