| SpectraBase Compound ID | 7DYp7GtKYqV |
|---|---|
| InChI | InChI=1S/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3 |
| InChIKey | OHCPVLJEAHBMEG-UHFFFAOYSA-N |
| Mol Weight | 189.64 g/mol |
| Molecular Formula | C8H12ClNO2 |
| Exact Mass | 189.055656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 17phPQhqbql |
|---|---|
| Name | 4-Carboxychloro-N-acetoxypiperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.055656328 u |
| Formula | C8H12ClNO2 |
| InChI | InChI=1S/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3 |
| InChIKey | OHCPVLJEAHBMEG-UHFFFAOYSA-N |
| Molecular Weight | 189.642 g/mol |
| SMILES | C(C1CCN(CC1)C(C)=O)(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949625 |