| SpectraBase Compound ID | 4Qu8e2Zxpqx |
|---|---|
| InChI | InChI=1S/C9H18/c1-6-8(3)9(4,5)7-2/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | WDLGLTFOBAKTPU-SOFGYWHQSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1m9tmmdRHWs |
|---|---|
| Name | 2-Hexene, 3,4,4-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-6-8(3)9(4,5)7-2/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | WDLGLTFOBAKTPU-SOFGYWHQSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C(\C(=C\C)C)(CC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970823 |