| SpectraBase Compound ID | 7RY6ZtFvHi8 |
|---|---|
| InChI | InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3 |
| InChIKey | BSKOLJVTLRLTHE-UHFFFAOYSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jOGY91xFkz |
|---|---|
| Name | Cyclopentane, 1-ethyl-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3 |
| InChIKey | BSKOLJVTLRLTHE-UHFFFAOYSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C1CCC(C1C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974412 |