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1-Dimethylsulfamoyl-4-iodo-5-(3,4-methylenedioxybenzyl)imidazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Dimethylsulfamoyl-4-iodo-5-(3,4-methylenedioxybenzyl)imidazole
SpectraBase Compound ID GfW8o5xgW2d
InChI InChI=1S/C13H14IN3O4S/c1-16(2)22(18,19)17-7-15-13(14)10(17)5-9-3-4-11-12(6-9)21-8-20-11/h3-4,6-7H,5,8H2,1-2H3
InChIKey YBIDTDFAXJXGTJ-UHFFFAOYSA-N
Mol Weight 435.24 g/mol
Molecular Formula C13H14IN3O4S
Exact Mass 434.974972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tcyS8bA05n
Name 1-Dimethylsulfamoyl-4-iodo-5-(3,4-methylenedioxybenzyl)imidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.974972113 u
Formula C13H14IN3O4S
InChI InChI=1S/C13H14IN3O4S/c1-16(2)22(18,19)17-7-15-13(14)10(17)5-9-3-4-11-12(6-9)21-8-20-11/h3-4,6-7H,5,8H2,1-2H3
InChIKey YBIDTDFAXJXGTJ-UHFFFAOYSA-N
Molecular Weight 435.236 g/mol
SMILES C1=NC(=C(N1S(=O)(=O)N(C)C)CC=1C=C2C(=CC1)OCO2)I