| SpectraBase Compound ID | FuOqufOqXih |
|---|---|
| InChI | InChI=1S/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1 InChI=1S/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1 |
| InChIKey | JKMYLSLBFNMSFP-IUCAKERBSA-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 | L3PjVZJ8BBB |
|---|---|
| Name | Trans-1,2-diethylcyclopentane |
| 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/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey | JKMYLSLBFNMSFP-IUCAKERBSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C1C[C@@]([C@](C1)(CC)[H])(CC)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.986746 |