| SpectraBase Compound ID | 5D8i85D7CD6 |
|---|---|
| InChI | InChI=1S/C12H24/c1-6-8-9-11(7-2)10-12(3,4)5/h10H,6-9H2,1-5H3/b11-10- |
| InChIKey | XXZKDHSOJBXVLD-KHPPLWFESA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DG3kE3W3H4F |
|---|---|
| Name | (Z/E)-4-Ethyl-2,2-dimethyl-3-octene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-6-8-9-11(7-2)10-12(3,4)5/h10H,6-9H2,1-5H3/b11-10- |
| InChIKey | XXZKDHSOJBXVLD-KHPPLWFESA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(\C(=C\C(C)(C)C)CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94125 |