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4-(Methylthio)-N-(3,4,5-trimethoxybenzylidene)aniline
SpectraBase Compound ID BeuqnNuTpvt
InChI InChI=1S/C17H19NO3S/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13/h5-11H,1-4H3/b18-11+
InChIKey ICTPZCCOJRPCLN-WOJGMQOQSA-N
Mol Weight 317.4 g/mol
Molecular Formula C17H19NO3S
Exact Mass 317.108565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI4wc9vHcYO
Name 4-(Methylthio)-N-(3,4,5-trimethoxybenzylidene)aniline
Comments Computed using HOSE algorithm
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Exact Mass 317.108564647 u
Formula C17H19NO3S
InChI InChI=1S/C17H19NO3S/c1-19-15-9-12(10-16(20-2)17(15)21-3)11-18-13-5-7-14(22-4)8-6-13/h5-11H,1-4H3/b18-11+
InChIKey ICTPZCCOJRPCLN-WOJGMQOQSA-N
Molecular Weight 317.403 g/mol
SMILES C1(\N=C\C2=CC(=C(C(=C2)OC)OC)OC)=CC=C(C=C1)SC