| SpectraBase Compound ID | 3ZaiNvUuyxx |
|---|---|
| InChI | InChI=1S/C9H15NO2/c1-6(2)9(5-10,7(3)4)8(11)12/h6-7H,1-4H3,(H,11,12) |
| InChIKey | UGKAGYIWOQXPKP-UHFFFAOYSA-N |
| Mol Weight | 169.22 g/mol |
| Molecular Formula | C9H15NO2 |
| Exact Mass | 169.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GSYjAa3bfot |
|---|---|
| Name | 2-Cyano-2-isopropyl-3-methylbutyric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.110278725 u |
| Formula | C9H15NO2 |
| InChI | InChI=1S/C9H15NO2/c1-6(2)9(5-10,7(3)4)8(11)12/h6-7H,1-4H3,(H,11,12) |
| InChIKey | UGKAGYIWOQXPKP-UHFFFAOYSA-N |
| Molecular Weight | 169.224 g/mol |
| SMILES | C(C(=O)O)(C#N)(C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950103 |