| SpectraBase Compound ID | CDysw8fRsgX |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-7-11-19-14(17)16(9-3,10-4)15(18)20-13(6)12(5)8-2/h12-13H,7-11H2,1-6H3 |
| InChIKey | AGQUNFDBUDRDHC-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9gmWspIWg4O |
|---|---|
| Name | Diethylmalonic acid, 3-methylpent-2-yl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-7-11-19-14(17)16(9-3,10-4)15(18)20-13(6)12(5)8-2/h12-13H,7-11H2,1-6H3 |
| InChIKey | AGQUNFDBUDRDHC-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC)=O)(C(OC(C)C(CC)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982039 |