| SpectraBase Compound ID | F8NB0oZYGus |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-17(8-2,15(18)20-11-9-13(3)4)16(19)21-12-10-14(5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | ZKJJCEMNIKSVGE-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 | Kn9n12gq60n |
|---|---|
| Name | Diethylmalonic acid, di(3-methylbutyl) 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/c1-7-17(8-2,15(18)20-11-9-13(3)4)16(19)21-12-10-14(5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | ZKJJCEMNIKSVGE-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC(C)C)=O)(C(OCCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988101 |