| SpectraBase Compound ID | 3TzcyyX7KrK |
|---|---|
| InChI | InChI=1S/C14H28/c1-3-5-7-10-14-12-8-11-13(14)9-6-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | JLDFHYBDWJVRAO-UHFFFAOYSA-N |
| Mol Weight | 196.38 g/mol |
| Molecular Formula | C14H28 |
| Exact Mass | 196.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JcHfvLHviBs |
|---|---|
| Name | Cyclopentane, 1-butyl-2-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.219100902 u |
| Formula | C14H28 |
| InChI | InChI=1S/C14H28/c1-3-5-7-10-14-12-8-11-13(14)9-6-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | JLDFHYBDWJVRAO-UHFFFAOYSA-N |
| Molecular Weight | 196.378 g/mol |
| SMILES | C(CC1C(CCCC)CCC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841587 |