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Urea, N-[5-[3-(2-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-N,N'-dimethyl-
SpectraBase Compound ID 3JqivvmVTN1
InChI InChI=1S/C14H17ClN4O2S/c1-16-13(20)19(2)14-18-17-12(22-14)8-5-9-21-11-7-4-3-6-10(11)15/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,20)
InChIKey UHPDXXIIWWFCQF-UHFFFAOYSA-N
Mol Weight 340.83 g/mol
Molecular Formula C14H17ClN4O2S
Exact Mass 340.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8oIlFKY8DP
Name Urea, N-[5-[3-(2-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-N,N'-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 340.076074675 u
Formula C14H17ClN4O2S
InChI InChI=1S/C14H17ClN4O2S/c1-16-13(20)19(2)14-18-17-12(22-14)8-5-9-21-11-7-4-3-6-10(11)15/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,20)
InChIKey UHPDXXIIWWFCQF-UHFFFAOYSA-N
Molecular Weight 340.829 g/mol
SMILES N(C(N(C=1SC(CCCOC2=CC=CC=C2Cl)=NN1)C)=O)C