| SpectraBase Compound ID | KeP5DbFg6Gj |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)9-8-10-19-13(17)16(6,7)14(18)20-11-15(3,4)5/h12H,8-11H2,1-7H3 |
| InChIKey | JJFJHQHPSDVDJF-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 | JyuDY2Zpm80 |
|---|---|
| Name | Dimethylmalonic acid, isohexyl neopentyl 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/c1-12(2)9-8-10-19-13(17)16(6,7)14(18)20-11-15(3,4)5/h12H,8-11H2,1-7H3 |
| InChIKey | JJFJHQHPSDVDJF-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C(C(=O)OCC(C)(C)C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848489 |