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Dibutyl-(3,4-dichlorophenyl)-[4-(N-thiazol-2-yl-sulfamoyl)-phenylamino]-methyl-phosphonate

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Dibutyl-(3,4-dichlorophenyl)-[4-(N-thiazol-2-yl-sulfamoyl)-phenylamino]-methyl-phosphonate
SpectraBase Compound ID FhQrG50Rkww
InChI InChI=1S/C24H30Cl2N3O5PS2/c1-3-5-14-33-35(30,34-15-6-4-2)23(18-7-12-21(25)22(26)17-18)28-19-8-10-20(11-9-19)37(31,32)29-24-27-13-16-36-24/h7-13,16-17,23,28H,3-6,14-15H2,1-2H3,(H,27,29)
InChIKey OVTVANARVOFDOY-UHFFFAOYSA-N
Mol Weight 606.52 g/mol
Molecular Formula C24H30Cl2N3O5PS2
Exact Mass 605.074156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UQi80Q0W0w
Name Dibutyl-(3,4-dichlorophenyl)-[4-(N-thiazol-2-yl-sulfamoyl)-phenylamino]-methyl-phosphonate
Comments Computed using HOSE algorithm
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Exact Mass 605.074155819 u
Formula C24H30Cl2N3O5PS2
InChI InChI=1S/C24H30Cl2N3O5PS2/c1-3-5-14-33-35(30,34-15-6-4-2)23(18-7-12-21(25)22(26)17-18)28-19-8-10-20(11-9-19)37(31,32)29-24-27-13-16-36-24/h7-13,16-17,23,28H,3-6,14-15H2,1-2H3,(H,27,29)
InChIKey OVTVANARVOFDOY-UHFFFAOYSA-N
Molecular Weight 606.520 g/mol
SMILES C1(NC(C2=CC(=C(C=C2)Cl)Cl)P(=O)(OCCCC)OCCCC)=CC=C(S(=O)(=O)NC2=NC=CS2)C=C1