| SpectraBase Compound ID | 7LvCAB8m9qk |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-3-4-5-7-11(8-6-9-12)14-10(2)13/h6,8-9,11H,3-5,7H2,1-2H3/b8-6+ |
| InChIKey | ADPNBZQNEJHXCN-SOFGYWHQSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DO20oN9w2wS |
|---|---|
| Name | (E)-4-Acetoxynon-2-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-3-4-5-7-11(8-6-9-12)14-10(2)13/h6,8-9,11H,3-5,7H2,1-2H3/b8-6+ |
| InChIKey | ADPNBZQNEJHXCN-SOFGYWHQSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(=O)(OC(\C=C\C=O)CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963449 |