| SpectraBase Compound ID | L1xMAt6FLTm |
|---|---|
| InChI | InChI=1S/C7H12ClNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3 |
| InChIKey | QAGATHCAVJHHGR-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 | CIA3itkF1vg |
|---|---|
| Name | 2-Chloropropanoic 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/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3 |
| InChIKey | QAGATHCAVJHHGR-UHFFFAOYSA-N |
| Molecular Weight | 177.631 g/mol |
| SMILES | CC(C(=O)N1CCOCC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974199 |