| SpectraBase Compound ID | A7ubmDqdboq |
|---|---|
| InChI | InChI=1S/C10H20O/c1-4-7-9(6-3)10(11)8-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1 |
| InChIKey | JFIPVBXBRGWWJJ-VIFPVBQESA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LPEq7ji2eEI |
|---|---|
| Name | 4-Octanone, 5-ethyl-, (S)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.151415263 u |
| Formula | C10H20O |
| InChI | InChI=1S/C10H20O/c1-4-7-9(6-3)10(11)8-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1 |
| InChIKey | JFIPVBXBRGWWJJ-VIFPVBQESA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | C(=O)([C@@](CC)(CCC)[H])CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972787 |