| SpectraBase Compound ID | JWoErcnmO2c |
|---|---|
| InChI | InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-4H3 |
| InChIKey | SOESISOWJSWAJZ-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKfzhMLp4VW |
|---|---|
| Name | 2,3,4-Hexatriene, 2,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-4H3 |
| InChIKey | SOESISOWJSWAJZ-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | CC(C)=C=C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968161 |