| SpectraBase Compound ID | 55qNww5yx0K |
|---|---|
| InChI | InChI=1S/C8H16/c1-5-8(4,6-2)7-3/h5H,1,6-7H2,2-4H3 |
| InChIKey | PHHHEKOJKDYRIN-UHFFFAOYSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 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 | DS8EnqGU2jJ |
|---|---|
| Name | 1-Pentene, 3-ethyl-3-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/c1-5-8(4,6-2)7-3/h5H,1,6-7H2,2-4H3 |
| InChIKey | PHHHEKOJKDYRIN-UHFFFAOYSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | CCC(C=C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892891 |