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N-(4,6-dimethyl-2-pyrimidinyl)-p-(5-norbornene-2,3-dicarboximido)benzenesulfonamide
SpectraBase Compound ID JlqLDsHX9UQ
InChI InChI=1S/C21H20N4O4S/c1-11-9-12(2)23-21(22-11)24-30(28,29)16-7-5-15(6-8-16)25-19(26)17-13-3-4-14(10-13)18(17)20(25)27/h3-9,13-14,17-18H,10H2,1-2H3,(H,22,23,24)
InChIKey XDOKJIOIPZURBB-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C21H20N4O4S
Exact Mass 424.120526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2m2MKoAXP0K
Name N-(4,6-Dimethyl-2-pyrimidinyl)-p-(5-norbornene-2,3-dicarboximido)benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 424.120526310 u
Formula C21H20N4O4S
InChI InChI=1S/C21H20N4O4S/c1-11-9-12(2)23-21(22-11)24-30(28,29)16-7-5-15(6-8-16)25-19(26)17-13-3-4-14(10-13)18(17)20(25)27/h3-9,13-14,17-18H,10H2,1-2H3,(H,22,23,24)
InChIKey XDOKJIOIPZURBB-UHFFFAOYSA-N
Molecular Weight 424.475 g/mol
SMILES N(S(C=1C=CC(=CC1)N1C(C2C3C=CC(C2C1=O)C3)=O)(=O)=O)C=1N=C(C=C(N1)C)C