![(2-[(2)H(1)]-4-Methoxyphenylethyne](/api/spectrum/Izzrh4jV4uk/structure.png?h=300&w=458 "(2-[(2)H(1)]-4-Methoxyphenylethyne")
| SpectraBase Compound ID | GKwAaoaSpjJ |
|---|---|
| InChI | InChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,1-2H3 |
| InChIKey | QVJGHZTXDKQLRT-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C10H10O |
| Exact Mass | 146.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Izzrh4jV4uk |
|---|---|
| Name | (2-[(2)H(1)]-4-Methoxyphenylethyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.073164941 u |
| Formula | C10H10O |
| InChI | InChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,1-2H3 |
| InChIKey | QVJGHZTXDKQLRT-UHFFFAOYSA-N |
| Molecular Weight | 146.189 g/mol |
| SMILES | C=1(OC)C=CC(=CC1)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930402 |