| SpectraBase Compound ID | 4gW6FKUGFAf |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-7(11)9(8(12)5-2)13-6(3)10/h9H,4-5H2,1-3H3 |
| InChIKey | RHHJOZZFJYLQEJ-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EWgsfTLmV2M |
|---|---|
| Name | 4-Acetoxyheptane-3,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-4-7(11)9(8(12)5-2)13-6(3)10/h9H,4-5H2,1-3H3 |
| InChIKey | RHHJOZZFJYLQEJ-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | CCC(C(C(CC)=O)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97731 |