| SpectraBase Compound ID | G3LMYefPBhw |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-9-11-19-14(17)16(7-2,8-3)15(18)20-12-10-13(4)5/h13H,6-12H2,1-5H3 |
| InChIKey | AFUCJJAEFHPNKG-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KofMwMkLWwf |
|---|---|
| Name | Diethylmalonic acid, butyl 3-methylbutyl 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/c1-6-9-11-19-14(17)16(7-2,8-3)15(18)20-12-10-13(4)5/h13H,6-12H2,1-5H3 |
| InChIKey | AFUCJJAEFHPNKG-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCCC)=O)(C(OCCC(C)C)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974289 |