| SpectraBase Compound ID | 7leAX4I65fU |
|---|---|
| InChI | InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h2,4-6H2,1,3H3 |
| InChIKey | FPKTZBDAOSTAHN-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 57Hp7HCH9PH |
|---|---|
| Name | 2-Methyl-1-octen-3-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h2,4-6H2,1,3H3 |
| InChIKey | FPKTZBDAOSTAHN-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(CCCC)#CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943746 |