| SpectraBase Compound ID | EpQveKLRBnl |
|---|---|
| InChI | InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3/t7-,8+,9- |
| InChIKey | DQTVJLHNWPRPPH-AYMMMOKOSA-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 | FLMRcOekv0X |
|---|---|
| Name | 1-cis-2-cis-3-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/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3/t7-,8+,9- |
| InChIKey | DQTVJLHNWPRPPH-AYMMMOKOSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C[C@@]1([C@]([C@@](CCC1)(C)[H])(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941578 |