| SpectraBase Compound ID | 6s6qD6PvuGR |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-7-15-9(13)12(5,6)10(14)16-8-11(2,3)4/h7-8H2,1-6H3 |
| InChIKey | YXUCGPFCFPXRAL-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LLmBvU2HW5l |
|---|---|
| Name | Dimethylmalonic acid, ethyl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-7-15-9(13)12(5,6)10(14)16-8-11(2,3)4/h7-8H2,1-6H3 |
| InChIKey | YXUCGPFCFPXRAL-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CC(C)(C)COC(=O)C(C)(C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975155 |