| SpectraBase Compound ID | FOsYkeFAh9x |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-4-11-7(10)5-8(2,3)6-9/h4-5H2,1-3H3 |
| InChIKey | JUVOLKOIVLZJJS-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GJZsQcul6ME |
|---|---|
| Name | 3-Cyano-3-methyl-butyric acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-4-11-7(10)5-8(2,3)6-9/h4-5H2,1-3H3 |
| InChIKey | JUVOLKOIVLZJJS-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C(#N)C(CC(=O)OCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957777 |