| SpectraBase Compound ID | Tdj7ojF21r |
|---|---|
| InChI | InChI=1S/C10H18/c1-6-10(7-2)9(5)8(3)4/h6,10H,1,7H2,2-5H3 |
| InChIKey | OICWWFVBYKPAIJ-UHFFFAOYSA-N |
| Mol Weight | 138.25 g/mol |
| Molecular Formula | C10H18 |
| Exact Mass | 138.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2lFshFhl76 |
|---|---|
| Name | 1,4-Hexadiene, 3-ethyl-4,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.140850580 u |
| Formula | C10H18 |
| InChI | InChI=1S/C10H18/c1-6-10(7-2)9(5)8(3)4/h6,10H,1,7H2,2-5H3 |
| InChIKey | OICWWFVBYKPAIJ-UHFFFAOYSA-N |
| Molecular Weight | 138.254 g/mol |
| SMILES | CC(=C(C)C)C(C=C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954896 |