| SpectraBase Compound ID | wD6M2hncVJ |
|---|---|
| InChI | InChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h6-9H,1H2,2-5H3 |
| InChIKey | NLLUKGSIZLNKDD-UHFFFAOYSA-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 | FoJ2pjMWdta |
|---|---|
| Name | 1-Hexene, 3,4,5-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(4)9(5)7(2)3/h6-9H,1H2,2-5H3 |
| InChIKey | NLLUKGSIZLNKDD-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C(C(C(C)C)C)(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922238 |