| SpectraBase Compound ID | FJXv3yvoWz0 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-9-10-11-12-20-15(18)17(7-2,8-3)16(19)21-13-14(4)5/h14H,6-13H2,1-5H3 |
| InChIKey | HHKXODSJVRQGFL-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVIMlLY34H6 |
|---|---|
| Name | Diethylmalonic acid, hexyl isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-6-9-10-11-12-20-15(18)17(7-2,8-3)16(19)21-13-14(4)5/h14H,6-13H2,1-5H3 |
| InChIKey | HHKXODSJVRQGFL-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCCCCC)=O)(C(OCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917975 |