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Acetamide, N-[4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]phenyl]-
SpectraBase Compound ID C8xKyciwMt7
InChI InChI=1S/C20H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)27(25,26)19-9-7-18(8-10-19)21-17(3)24/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKey RRDFNYQGQXQDCH-UHFFFAOYSA-N
Mol Weight 387.5 g/mol
Molecular Formula C20H25N3O3S
Exact Mass 387.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVYbvFFmVkV
Name Acetamide, N-[4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 387.161662848 u
Formula C20H25N3O3S
InChI InChI=1S/C20H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)27(25,26)19-9-7-18(8-10-19)21-17(3)24/h4-10H,11-14H2,1-3H3,(H,21,24)
InChIKey RRDFNYQGQXQDCH-UHFFFAOYSA-N
Molecular Weight 387.498 g/mol
SMILES C1CN(CCN1S(C1=CC=C(NC(C)=O)C=C1)(=O)=O)C1=CC=CC(=C1C)C