| SpectraBase Compound ID | I8CH923OaQb |
|---|---|
| InChI | InChI=1S/C15H12O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3 |
| InChIKey | BXXYBNVPUWTQFR-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C15H12O |
| Exact Mass | 208.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9NWEilLKWxu |
|---|---|
| Name | 4-Methoxydiphenylacetylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.088815005 u |
| Formula | C15H12O |
| InChI | InChI=1S/C15H12O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3 |
| InChIKey | BXXYBNVPUWTQFR-UHFFFAOYSA-N |
| Molecular Weight | 208.260 g/mol |
| SMILES | C1(OC)=CC=C(C=C1)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942956 |