| SpectraBase Compound ID | IFcYVQ0MoLS |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-3-5-6-15-11(14)8-10(13)7-9(12)4-2/h3-8H2,1-2H3 |
| InChIKey | IJZNFZXANIBION-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5qGCtIR13EC |
|---|---|
| Name | Butyl 3,5-dioxoheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-3-5-6-15-11(14)8-10(13)7-9(12)4-2/h3-8H2,1-2H3 |
| InChIKey | IJZNFZXANIBION-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C(=O)OCCCC)C(CC(=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809304 |