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3-iodo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide

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3-iodo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID G6g8Vd2HRB9
InChI InChI=1S/C18H16IN3O3S/c1-24-14-7-6-11(8-15(14)25-2)9-16-21-22-18(26-16)20-17(23)12-4-3-5-13(19)10-12/h3-8,10H,9H2,1-2H3,(H,20,22,23)
InChIKey NHTCYHCFTRSCCI-UHFFFAOYSA-N
Mol Weight 481.31 g/mol
Molecular Formula C18H16IN3O3S
Exact Mass 480.995708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Zz03uYLx66
Name 3-Iodo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.995707558 u
Formula C18H16IN3O3S
InChI InChI=1S/C18H16IN3O3S/c1-24-14-7-6-11(8-15(14)25-2)9-16-21-22-18(26-16)20-17(23)12-4-3-5-13(19)10-12/h3-8,10H,9H2,1-2H3,(H,20,22,23)
InChIKey NHTCYHCFTRSCCI-UHFFFAOYSA-N
Molecular Weight 481.308 g/mol
SMILES C=1(SC(CC2=CC(OC)=C(C=C2)OC)=NN1)NC(C1=CC(I)=CC=C1)=O