| SpectraBase Compound ID | GgrJNOum0SV |
|---|---|
| InChI | InChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h5-11H2,1-4H3 |
| InChIKey | KRUISZBGBQZWAN-UHFFFAOYSA-N |
| Mol Weight | 206.37 g/mol |
| Molecular Formula | C15H26 |
| Exact Mass | 206.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IinrP0efrS5 |
|---|---|
| Name | 2,3-Dimethyltridec-2-en-4-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.203450837 u |
| Formula | C15H26 |
| InChI | InChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h5-11H2,1-4H3 |
| InChIKey | KRUISZBGBQZWAN-UHFFFAOYSA-N |
| Molecular Weight | 206.373 g/mol |
| SMILES | CC(=C(C#CCCCCCCCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898152 |