| SpectraBase Compound ID | 7gaCA3l8fFb |
|---|---|
| InChI | InChI=1S/C7H12ClNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6H2 |
| InChIKey | RHPBOUGBOGWTDW-UHFFFAOYSA-N |
| Mol Weight | 177.63 g/mol |
| Molecular Formula | C7H12ClNO2 |
| Exact Mass | 177.055656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1T0ORXyHnmd |
|---|---|
| Name | 3-Chloropropionic acid, morpholide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.055656328 u |
| Formula | C7H12ClNO2 |
| InChI | InChI=1S/C7H12ClNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6H2 |
| InChIKey | RHPBOUGBOGWTDW-UHFFFAOYSA-N |
| Molecular Weight | 177.631 g/mol |
| SMILES | C1CN(CCO1)C(CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966222 |