| SpectraBase Compound ID | 52BS2uCch7d |
|---|---|
| InChI | InChI=1S/C11H20O/c1-4-6-7-8-9-11(5-2)10(3)12/h9H,4-8H2,1-3H3/b11-9+ |
| InChIKey | ZYTJBZJAPGDMJY-PKNBQFBNSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DdjfErR6T57 |
|---|---|
| Name | 3-Nonen-2-one, 3-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-4-6-7-8-9-11(5-2)10(3)12/h9H,4-8H2,1-3H3/b11-9+ |
| InChIKey | ZYTJBZJAPGDMJY-PKNBQFBNSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(\C(=C\CCCCC)CC)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983512 |