| SpectraBase Compound ID | Jisw1FCJdKe |
|---|---|
| InChI | InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | ADHCYQWFCLQBFG-UHFFFAOYSA-N |
| Mol Weight | 98.19 g/mol |
| Molecular Formula | C7H14 |
| Exact Mass | 98.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6CC0w8QVAza |
|---|---|
| Name | 2-Ethyl-3-methylbuten-1 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.109550451 u |
| Formula | C7H14 |
| InChI | InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | ADHCYQWFCLQBFG-UHFFFAOYSA-N |
| Molecular Weight | 98.189 g/mol |
| SMILES | CC(C(=C)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968044 |