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4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-ethoxyphenyl 4-methoxybenzoate
SpectraBase Compound ID Hnbjt2Rs7tR
InChI InChI=1S/C18H19N3O4S/c1-3-24-16-10-12(11-20-21-18(19)26)4-9-15(16)25-17(22)13-5-7-14(23-2)8-6-13/h4-11H,3H2,1-2H3,(H3,19,21,26)/b20-11+
InChIKey PVOAAQCKBOFJBE-RGVLZGJSSA-N
Mol Weight 373.43 g/mol
Molecular Formula C18H19N3O4S
Exact Mass 373.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGpzGlmUViT
Name 4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-ethoxyphenyl 4-methoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.109627274 u
Formula C18H19N3O4S
InChI InChI=1S/C18H19N3O4S/c1-3-24-16-10-12(11-20-21-18(19)26)4-9-15(16)25-17(22)13-5-7-14(23-2)8-6-13/h4-11H,3H2,1-2H3,(H3,19,21,26)/b20-11+
InChIKey PVOAAQCKBOFJBE-RGVLZGJSSA-N
SMILES N(C(=S)N)\N=C\C=1C=CC(OC(C2=CC=C(C=C2)OC)=O)=C(C1)OCC