| SpectraBase Compound ID | 4V1uSifi2Q9 |
|---|---|
| InChI | InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h2,4-5H2,1,3H3 |
| InChIKey | UOOFRLPCQNNECP-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KumoRiJlZjV |
|---|---|
| Name | 2-Methyl-1-hepten-3-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h2,4-5H2,1,3H3 |
| InChIKey | UOOFRLPCQNNECP-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C(CCC)#CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948449 |