| SpectraBase Compound ID | IXzLSutMWYL |
|---|---|
| InChI | InChI=1S/C8H14/c1-6-7(2)8(3,4)5/h1H2,2-5H3 |
| InChIKey | MVXYMVXRICYNAH-UHFFFAOYSA-N |
| Mol Weight | 111.21 g/mol |
| Molecular Formula | C8H15 |
| Exact Mass | 111.117375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IFOzX2DYcDr |
|---|---|
| Name | 3,4,4-Trimethyl-1,2-pentadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.117375483 u |
| Formula | C8H15 |
| InChI | InChI=1S/C8H14/c1-6-7(2)8(3,4)5/h1H2,2-5H3 |
| InChIKey | MVXYMVXRICYNAH-UHFFFAOYSA-N |
| Molecular Weight | 111.208 g/mol |
| Nominal Mass | 111 u |
| SMILES | [CH3]=C=C(C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96532 |