| SpectraBase Compound ID | 7DSLVKjoGBc |
|---|---|
| InChI | InChI=1S/C13H28/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3 |
| InChIKey | METKCQZZZVWWCD-UHFFFAOYSA-N |
| Mol Weight | 184.37 g/mol |
| Molecular Formula | C13H28 |
| Exact Mass | 184.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K4oYjIJmqmL |
|---|---|
| Name | Decane, 5-ethyl-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.219100902 u |
| Formula | C13H28 |
| InChI | InChI=1S/C13H28/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3 |
| InChIKey | METKCQZZZVWWCD-UHFFFAOYSA-N |
| Molecular Weight | 184.367 g/mol |
| SMILES | C(C(CCCC)(CC)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908696 |