![o-[(p-Chlorophenyl)carbamoyl]-2-(propylsulfonyl)acetamidoxime](/api/spectrum/3sjz1Fxdhud/structure.png?h=300&w=458 "o-[(p-Chlorophenyl)carbamoyl]-2-(propylsulfonyl)acetamidoxime")
| SpectraBase Compound ID | IDGqMKlsD7G |
|---|---|
| InChI | InChI=1S/C12H16ClN3O4S/c1-2-7-21(18,19)8-11(14)16-20-12(17)15-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H2,14,16)(H,15,17) |
| InChIKey | LHDBIDLVWISVFQ-UHFFFAOYSA-N |
| Mol Weight | 333.79 g/mol |
| Molecular Formula | C12H16ClN3O4S |
| Exact Mass | 333.055005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sjz1Fxdhud |
|---|---|
| Name | o-[(p-Chlorophenyl)carbamoyl]-2-(propylsulfonyl)acetamidoxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.055004877 u |
| Formula | C12H16ClN3O4S |
| InChI | InChI=1S/C12H16ClN3O4S/c1-2-7-21(18,19)8-11(14)16-20-12(17)15-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H2,14,16)(H,15,17) |
| InChIKey | LHDBIDLVWISVFQ-UHFFFAOYSA-N |
| SMILES | N\C(=N/OC(=O)NC1=CC=C(Cl)C=C1)CS(CCC)(=O)=O |