| SpectraBase Compound ID | DBC3ZGiNDPH |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-10(2)9-11(3)13(15)7-5-6-8-16-12(4)14/h9,11H,5-8H2,1-4H3 |
| InChIKey | BDCUWFMCYUDZHD-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HjBoln6FhnW |
|---|---|
| Name | 9-Acetoxy-2,4-dimethyl-5-oxonon-3-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-10(2)9-11(3)13(15)7-5-6-8-16-12(4)14/h9,11H,5-8H2,1-4H3 |
| InChIKey | BDCUWFMCYUDZHD-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C(C(C(=O)CCCCOC(=O)C)C)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839664 |