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phenol, 2-bromo-6-methoxy-4-[(E)-[[4-(2-methoxyphenyl)-1-piperazinyl]imino]methyl]-
SpectraBase Compound ID ghGGgdPvKQ
InChI InChI=1S/C19H22BrN3O3/c1-25-17-6-4-3-5-16(17)22-7-9-23(10-8-22)21-13-14-11-15(20)19(24)18(12-14)26-2/h3-6,11-13,24H,7-10H2,1-2H3/b21-13+
InChIKey GUTGRDXLZXMSKL-FYJGNVAPSA-N
Mol Weight 420.31 g/mol
Molecular Formula C19H22BrN3O3
Exact Mass 419.084455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NFSi4xkYp4
Name Phenol, 2-bromo-6-methoxy-4-[(E)-[[4-(2-methoxyphenyl)-1-piperazinyl]imino]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 419.084454577 u
Formula C19H22BrN3O3
InChI InChI=1S/C19H22BrN3O3/c1-25-17-6-4-3-5-16(17)22-7-9-23(10-8-22)21-13-14-11-15(20)19(24)18(12-14)26-2/h3-6,11-13,24H,7-10H2,1-2H3/b21-13+
InChIKey GUTGRDXLZXMSKL-FYJGNVAPSA-N
Molecular Weight 420.307 g/mol
SMILES OC=1C(=CC(=CC1Br)\C=N\N1CCN(C=2C(OC)=CC=CC2)CC1)OC