| SpectraBase Compound ID | BJYXObAc4RS |
|---|---|
| InChI | InChI=1S/C13H24O/c1-6-8-12(10-9-11(3)14)13(4,5)7-2/h8H,6-7,9-10H2,1-5H3/b12-8+ |
| InChIKey | VCTUSGSGXVXMHH-XYOKQWHBSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3JUibX3I8Eg |
|---|---|
| Name | (5E)-5-Tert-pentyloct-5-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-6-8-12(10-9-11(3)14)13(4,5)7-2/h8H,6-7,9-10H2,1-5H3/b12-8+ |
| InChIKey | VCTUSGSGXVXMHH-XYOKQWHBSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | CC(CC\C(=C/CC)C(CC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917742 |