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O-[(p-chlorophenyl)carbamoyl]-2-(isopropylsulfonyl)acetamidoxime
SpectraBase Compound ID 4gSzLmjc07S
InChI InChI=1S/C12H16ClN3O4S/c1-8(2)21(18,19)7-11(14)16-20-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKey QBHPLOZAMJUAGG-UHFFFAOYSA-N
Mol Weight 333.79 g/mol
Molecular Formula C12H16ClN3O4S
Exact Mass 333.055005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmd6gVHhxk
Name o-[(p-Chlorophenyl)carbamoyl]-2-(isopropylsulfonyl)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/c1-8(2)21(18,19)7-11(14)16-20-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKey QBHPLOZAMJUAGG-UHFFFAOYSA-N
Molecular Weight 333.790 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(ON=C(CS(=O)(=O)C(C)C)N)=O