| SpectraBase Compound ID | 15JQzhFdDHC |
|---|---|
| InChI | InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h6-8H,1-5H3/b7-6+ |
| InChIKey | PRUCZTKBAPTGNR-VOTSOKGWSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ZI3ppW9hOH |
|---|---|
| Name | 2-Hexene, 4,4,5-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h6-8H,1-5H3/b7-6+ |
| InChIKey | PRUCZTKBAPTGNR-VOTSOKGWSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C(\C=C\C)(C(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974874 |