| SpectraBase Compound ID | orZnDLa281 |
|---|---|
| InChI | InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-7H,1H2,2-4H3/b8-6+ |
| InChIKey | AHWBOJHBQWURGT-SOFGYWHQSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CeBzH8aydSL |
|---|---|
| Name | 1,3-Hexadiene, 4,5-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.109550451 u |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-7H,1H2,2-4H3/b8-6+ |
| InChIKey | AHWBOJHBQWURGT-SOFGYWHQSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C(\C=C\(C(C)C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913545 |