| SpectraBase Compound ID | HPtKVeqjMoW |
|---|---|
| InChI | InChI=1S/C5H6ClNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3 |
| InChIKey | XLKNEDJUGDVJDP-UHFFFAOYSA-N |
| Mol Weight | 147.56 g/mol |
| Molecular Formula | C5H6ClNO2 |
| Exact Mass | 147.008706 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CAcfCV1w4Te |
|---|---|
| Name | Ethyl chlorocyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.008706135 u |
| Formula | C5H6ClNO2 |
| InChI | InChI=1S/C5H6ClNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3 |
| InChIKey | XLKNEDJUGDVJDP-UHFFFAOYSA-N |
| Molecular Weight | 147.561 g/mol |
| SMILES | CCOC(=O)C(Cl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967872 |