| SpectraBase Compound ID | 1E4BHuAOx9l |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-6(2)10-7(9)4-3-5-8/h6H,3-4H2,1-2H3 |
| InChIKey | RXXAMLSZGMQCRE-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KiPkiTpdxXG |
|---|---|
| Name | Isopropyl 3-cyanopropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-6(2)10-7(9)4-3-5-8/h6H,3-4H2,1-2H3 |
| InChIKey | RXXAMLSZGMQCRE-UHFFFAOYSA-N |
| SMILES | C(CCC#N)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973273 |