| SpectraBase Compound ID | 6Jo5z85m7cA |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-4-12-6(9)5-8(2,3)7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | KMLNYFITNFHXJU-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I9nTq4VJDVc |
|---|---|
| Name | 2,2-Dimethylbutan-1,4-dioic-acid-4-ethylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-4-12-6(9)5-8(2,3)7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChIKey | KMLNYFITNFHXJU-UHFFFAOYSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | C(=O)(C(CC(=O)OCC)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976911 |