| SpectraBase Compound ID | 1kqKV8z0dse |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-2-15-11(13)8-3-4-9-12(14)16-10-6-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | DZKVTRUZVVKUCB-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jLH22uw6ji |
|---|---|
| Name | Adipic acid, cyclobutyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-2-15-11(13)8-3-4-9-12(14)16-10-6-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | DZKVTRUZVVKUCB-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CCOC(CCCCC(OC1CCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971457 |