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2-pyrrolidinecarboxamide, 1-[(4-chlorophenyl)sulfonyl]-N-(3,5-dimethylphenyl)-
SpectraBase Compound ID 5n3wwhIzypY
InChI InChI=1S/C19H21ClN2O3S/c1-13-10-14(2)12-16(11-13)21-19(23)18-4-3-9-22(18)26(24,25)17-7-5-15(20)6-8-17/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,21,23)
InChIKey XYVSDRGXVAWXEE-UHFFFAOYSA-N
Mol Weight 392.9 g/mol
Molecular Formula C19H21ClN2O3S
Exact Mass 392.096141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ihnLTRkObn
Name 2-Pyrrolidinecarboxamide, 1-[(4-chlorophenyl)sulfonyl]-N-(3,5-dimethylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 392.096141415 u
Formula C19H21ClN2O3S
InChI InChI=1S/C19H21ClN2O3S/c1-13-10-14(2)12-16(11-13)21-19(23)18-4-3-9-22(18)26(24,25)17-7-5-15(20)6-8-17/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,21,23)
InChIKey XYVSDRGXVAWXEE-UHFFFAOYSA-N
Molecular Weight 392.901 g/mol
SMILES N(C(C1N(S(C=2C=CC(=CC2)Cl)(=O)=O)CCC1)=O)C=1C=C(C)C=C(C1)C