| SpectraBase Compound ID | 7c2Tc8L3gH5 |
|---|---|
| InChI | InChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | UDDVMPHNQKRNNS-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 | GtCmdhqqkCj |
|---|---|
| Name | 1-Ethyl-3-methylcyclohexane (C,T) |
| 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/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | UDDVMPHNQKRNNS-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C1CC(CC(C1)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92073 |