| SpectraBase Compound ID | 4wDJer2vP9w |
|---|---|
| InChI | InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3 |
| InChIKey | VCJPCEVERINRSG-UHFFFAOYSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HczQ9TFxMoa |
|---|---|
| Name | 1,2,4-Trimethylcyclohexane |
| 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/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3 |
| InChIKey | VCJPCEVERINRSG-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C1C(C(CC(C1)C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.962688 |