| SpectraBase Compound ID | IpMiI468rMm |
|---|---|
| InChI | InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9) |
| InChIKey | IGKDMFMKAAPDDN-UHFFFAOYSA-N |
| Mol Weight | 179.6 g/mol |
| Molecular Formula | C6H10ClNO3 |
| Exact Mass | 179.034921 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KAgCADxmLrT |
|---|---|
| Name | Methyl 2-(acetylamino)-3-chloropropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.034920883 u |
| Formula | C6H10ClNO3 |
| InChI | InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9) |
| InChIKey | IGKDMFMKAAPDDN-UHFFFAOYSA-N |
| Molecular Weight | 179.603 g/mol |
| SMILES | CC(NC(C(=O)OC)CCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856949 |