| SpectraBase Compound ID | 2GVpv1AuSBy |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-6-7-8-11(10(13)5-2)14-9(3)12/h11H,4-8H2,1-3H3 |
| InChIKey | IUTVBSBWLPEFLC-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ALFVeoH7u0G |
|---|---|
| Name | 3-Nonanone, 4-(acetyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-6-7-8-11(10(13)5-2)14-9(3)12/h11H,4-8H2,1-3H3 |
| InChIKey | IUTVBSBWLPEFLC-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(OC(C(=O)CC)CCCCC)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9858 |