| SpectraBase Compound ID | HrweQeiAOFl |
|---|---|
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3H,1,4,6,8H2,2H3 |
| InChIKey | UEKPKVCWUZMBML-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 | 2xrB2MIPbz5 |
|---|---|
| Name | 1-Octen-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/c1-3-5-7-8-6-4-2/h3H,1,4,6,8H2,2H3 |
| InChIKey | UEKPKVCWUZMBML-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C(CCCC)#CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94004 |