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4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-ethoxyphenyl benzoate

View entire compound with spectra: 2 NMR

4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-ethoxyphenyl benzoate
SpectraBase Compound ID C6AH6xQL1oc
InChI InChI=1S/C17H17N3O3S/c1-2-22-15-10-12(11-19-20-17(18)24)8-9-14(15)23-16(21)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H3,18,20,24)/b19-11+
InChIKey ZCSYHZADYDKHSY-YBFXNURJSA-N
Mol Weight 343.4 g/mol
Molecular Formula C17H17N3O3S
Exact Mass 343.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERd2GmGcAMF
Name 4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-ethoxyphenyl benzoate
Comments Computed using HOSE algorithm
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Exact Mass 343.099062590 u
Formula C17H17N3O3S
InChI InChI=1S/C17H17N3O3S/c1-2-22-15-10-12(11-19-20-17(18)24)8-9-14(15)23-16(21)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H3,18,20,24)/b19-11+
InChIKey ZCSYHZADYDKHSY-YBFXNURJSA-N
Molecular Weight 343.401 g/mol
SMILES N(C(=S)N)\N=C\C1=CC=C(OC(=O)C=2C=CC=CC2)C(=C1)OCC