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3-methoxy-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID EKyYS28pbYt
InChI InChI=1S/C18H17N3O3S/c1-23-14-8-6-12(7-9-14)10-16-20-21-18(25-16)19-17(22)13-4-3-5-15(11-13)24-2/h3-9,11H,10H2,1-2H3,(H,19,21,22)
InChIKey RHUUGPUAEBBMEM-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C18H17N3O3S
Exact Mass 355.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BZDxXcd1ZB
Name 3-Methoxy-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 355.099062590 u
Formula C18H17N3O3S
InChI InChI=1S/C18H17N3O3S/c1-23-14-8-6-12(7-9-14)10-16-20-21-18(25-16)19-17(22)13-4-3-5-15(11-13)24-2/h3-9,11H,10H2,1-2H3,(H,19,21,22)
InChIKey RHUUGPUAEBBMEM-UHFFFAOYSA-N
Molecular Weight 355.412 g/mol
SMILES N(C=1SC(CC2=CC=C(C=C2)OC)=NN1)C(C1=CC(OC)=CC=C1)=O