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phenol, 4-bromo-2-[(E)-[[4-(6-methyl-2-benzothiazolyl)phenyl]imino]methyl]-
SpectraBase Compound ID ERzyksnA8ag
InChI InChI=1S/C21H15BrN2OS/c1-13-2-8-18-20(10-13)26-21(24-18)14-3-6-17(7-4-14)23-12-15-11-16(22)5-9-19(15)25/h2-12,25H,1H3/b23-12+
InChIKey NWQXEQPXUPRMCX-FSJBWODESA-N
Mol Weight 423.33 g/mol
Molecular Formula C21H15BrN2OS
Exact Mass 422.008847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XRlN5MUsN9
Name Phenol, 4-bromo-2-[(E)-[[4-(6-methyl-2-benzothiazolyl)phenyl]imino]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 422.008847284 u
Formula C21H15BrN2OS
InChI InChI=1S/C21H15BrN2OS/c1-13-2-8-18-20(10-13)26-21(24-18)14-3-6-17(7-4-14)23-12-15-11-16(22)5-9-19(15)25/h2-12,25H,1H3/b23-12+
InChIKey NWQXEQPXUPRMCX-FSJBWODESA-N
Molecular Weight 423.328 g/mol
SMILES OC1=C(\C=N\C=2C=CC(C3=NC=4C=CC(=CC4S3)C)=CC2)C=C(C=C1)Br