| SpectraBase Compound ID | LCl5t6AaCQx |
|---|---|
| InChI | InChI=1S/C20H28O/c1-3-5-7-8-9-10-13-17-14-11-12-15-18(17)20-19(21-20)16-6-4-2/h11-12,14-15,19-20H,3-9,16H2,1-2H3 |
| InChIKey | OEBJMFZLAZSUPR-UHFFFAOYSA-N |
| Mol Weight | 284.44 g/mol |
| Molecular Formula | C20H28O |
| Exact Mass | 284.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 901qZURJXV9 |
|---|---|
| Name | Butyloctynylphenyloxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.214015521 u |
| Formula | C20H28O |
| InChI | InChI=1S/C20H28O/c1-3-5-7-8-9-10-13-17-14-11-12-15-18(17)20-19(21-20)16-6-4-2/h11-12,14-15,19-20H,3-9,16H2,1-2H3 |
| InChIKey | OEBJMFZLAZSUPR-UHFFFAOYSA-N |
| SMILES | C=1C=C(C2C(CCCC)O2)C(C#CCCCCCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827884 |