| SpectraBase Compound ID | xZuLXmm3bN |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-10-11-14(6)21-16(19)17(8-2,9-3)15(18)20-12-13(4)5/h13-14H,7-12H2,1-6H3 |
| InChIKey | QZBJXPBFNBSOKL-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 | JDmu6LUveuU |
|---|---|
| Name | Diethylmalonic acid, 2-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/c1-7-10-11-14(6)21-16(19)17(8-2,9-3)15(18)20-12-13(4)5/h13-14H,7-12H2,1-6H3 |
| InChIKey | QZBJXPBFNBSOKL-UHFFFAOYSA-N |
| SMILES | C(C(C(OCC(C)C)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984543 |