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4-isopropoxy-3-methoxybenzaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone

View entire compound with spectra: 2 NMR

4-isopropoxy-3-methoxybenzaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone
SpectraBase Compound ID HfUltWWmdYx
InChI InChI=1S/C18H19Cl2N3O2S/c1-11(2)25-16-7-4-12(8-17(16)24-3)10-21-23-18(26)22-15-6-5-13(19)9-14(15)20/h4-11H,1-3H3,(H2,22,23,26)/b21-10+
InChIKey ISJUVFKMAPHCFP-UFFVCSGVSA-N
Mol Weight 412.34 g/mol
Molecular Formula C18H19Cl2N3O2S
Exact Mass 411.057503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILstB2QkN2l
Name 4-Isopropoxy-3-methoxybenzaldehyde N-(2,4-dichlorophenyl)thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 411.057503436 u
Formula C18H19Cl2N3O2S
InChI InChI=1S/C18H19Cl2N3O2S/c1-11(2)25-16-7-4-12(8-17(16)24-3)10-21-23-18(26)22-15-6-5-13(19)9-14(15)20/h4-11H,1-3H3,(H2,22,23,26)/b21-10+
InChIKey ISJUVFKMAPHCFP-UFFVCSGVSA-N
Molecular Weight 412.335 g/mol
SMILES N(C(=S)N\N=C\C1=CC(OC)=C(C=C1)OC(C)C)C1=C(C=C(C=C1)Cl)Cl