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2-Methoxy-4-{(E)-[(4-methoxyphenyl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID Alm7Pt2Pcdu
InChI InChI=1S/C24H18ClNO4S/c1-28-17-10-8-16(9-11-17)26-14-15-7-12-19(20(13-15)29-2)30-24(27)23-22(25)18-5-3-4-6-21(18)31-23/h3-14H,1-2H3/b26-14+
InChIKey XLRQOXLQBXGCSB-VULFUBBASA-N
Mol Weight 451.92 g/mol
Molecular Formula C24H18ClNO4S
Exact Mass 451.064507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UXaPjoBBKk
Name 2-Methoxy-4-{(E)-[(4-methoxyphenyl)imino]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 451.064506934 u
Formula C24H18ClNO4S
InChI InChI=1S/C24H18ClNO4S/c1-28-17-10-8-16(9-11-17)26-14-15-7-12-19(20(13-15)29-2)30-24(27)23-22(25)18-5-3-4-6-21(18)31-23/h3-14H,1-2H3/b26-14+
InChIKey XLRQOXLQBXGCSB-VULFUBBASA-N
Molecular Weight 451.924 g/mol
SMILES C=1(SC=2C=CC=CC2C1Cl)C(OC=1C(=CC(\C=N\C=2C=CC(=CC2)OC)=CC1)OC)=O