| SpectraBase Compound ID | JmX9pJfbvwJ |
|---|---|
| InChI | InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2 |
| InChIKey | IWEPJEXBCDPDQS-UHFFFAOYSA-N |
| Mol Weight | 269.75 g/mol |
| Molecular Formula | C12H12ClNO2S |
| Exact Mass | 269.027728 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8lY2OmtNsAr |
|---|---|
| Name | 1-(4-Chlorophenyl)-2-morpholino-2-thioethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.027727502 u |
| Formula | C12H12ClNO2S |
| InChI | InChI=1S/C12H12ClNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2 |
| InChIKey | IWEPJEXBCDPDQS-UHFFFAOYSA-N |
| SMILES | C(C(C1=CC=C(C=C1)Cl)=O)(N1CCOCC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945764 |