| SpectraBase Compound ID | 5q1xuRJKiUQ |
|---|---|
| InChI | InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+ |
| InChIKey | BIDIHFPLDRSAMB-AATRIKPKSA-N |
| Mol Weight | 98.19 g/mol |
| Molecular Formula | C7H14 |
| Exact Mass | 98.10955 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5aFTjmJPe9r |
|---|---|
| Name | (E)-4,4-Dimethyl-2-pentene |
| 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/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+ |
| InChIKey | BIDIHFPLDRSAMB-AATRIKPKSA-N |
| Molecular Weight | 98.189 g/mol |
| SMILES | C(\C=C\C)(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.798367 |