| SpectraBase Compound ID | 4r7TTHQWa7M |
|---|---|
| InChI | InChI=1S/C13H26/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h12H,4-11H2,1-3H3 |
| InChIKey | SACQRZQXAFXBGK-UHFFFAOYSA-N |
| Mol Weight | 182.35 g/mol |
| Molecular Formula | C13H26 |
| Exact Mass | 182.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DasItw7S3nd |
|---|---|
| Name | Cyclopentane, 3-hexyl-1,1-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.203450837 u |
| Formula | C13H26 |
| InChI | InChI=1S/C13H26/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h12H,4-11H2,1-3H3 |
| InChIKey | SACQRZQXAFXBGK-UHFFFAOYSA-N |
| Molecular Weight | 182.351 g/mol |
| SMILES | C(CCCCC)C1CC(C)(C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827975 |