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N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-1-benzothiophene-3-carbohydrazide
SpectraBase Compound ID 91s1M3prYEK
InChI InChI=1S/C24H20N2O3S/c1-28-22-13-18(11-12-21(22)29-15-17-7-3-2-4-8-17)14-25-26-24(27)20-16-30-23-10-6-5-9-19(20)23/h2-14,16H,15H2,1H3,(H,26,27)/b25-14+
InChIKey VGKSKFSRNSYDOB-AFUMVMLFSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H20N2O3S
Exact Mass 416.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQtYhXAcHYp
Name N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-1-benzothiophene-3-carbohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 416.119463683 u
Formula C24H20N2O3S
InChI InChI=1S/C24H20N2O3S/c1-28-22-13-18(11-12-21(22)29-15-17-7-3-2-4-8-17)14-25-26-24(27)20-16-30-23-10-6-5-9-19(20)23/h2-14,16H,15H2,1H3,(H,26,27)/b25-14+
InChIKey VGKSKFSRNSYDOB-AFUMVMLFSA-N
Molecular Weight 416.495 g/mol
SMILES N(\N=C\C1=CC(=C(OCC2=CC=CC=C2)C=C1)OC)C(C1=CSC2=C1C=CC=C2)=O