| SpectraBase Compound ID | 94C9CYfx97r |
|---|---|
| InChI | InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4(3-8)5(7)9/h2,9H2,1H3/b5-4- |
| InChIKey | HYEWOKUKFABDCR-PLNGDYQASA-N |
| Mol Weight | 174.59 g/mol |
| Molecular Formula | C6H7ClN2O2 |
| Exact Mass | 174.019605 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CVEnKmDc3LS |
|---|---|
| Name | (E)-3-Amino-3-chloro-2-cyano-acrylic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.019605171 u |
| Formula | C6H7ClN2O2 |
| InChI | InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4(3-8)5(7)9/h2,9H2,1H3/b5-4- |
| InChIKey | HYEWOKUKFABDCR-PLNGDYQASA-N |
| SMILES | C(=O)(\C(=C/(N)Cl)C#N)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976452 |