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1, 4-Bis-((3-methyl-5-styrylisoxazol-4-ylamino)-(p-tolyl)methyl)naphthalene-2,3-diol
SpectraBase Compound ID 76ENyLm0LPZ
InChI InChI=1S/C50H44N4O4/c1-31-19-25-37(26-20-31)47(51-45-33(3)53-57-41(45)29-23-35-13-7-5-8-14-35)43-39-17-11-12-18-40(39)44(50(56)49(43)55)48(38-27-21-32(2)22-28-38)52-46-34(4)54-58-42(46)30-24-36-15-9-6-10-16-36/h5-30,47-48,51-52,55-56H,1-4H3/b29-23+,30-24+
InChIKey QHGZUBGJSJNFNK-HCTXVGCHSA-N
Mol Weight 764.9 g/mol
Molecular Formula C50H44N4O4
Exact Mass 764.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ot29bJ7HwO
Name 1, 4-Bis-((3-methyl-5-styrylisoxazol-4-ylamino)-(p-tolyl)methyl)naphthalene-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H44N4O4
InChI InChI=1S/C50H44N4O4/c1-31-19-25-37(26-20-31)47(51-45-33(3)53-57-41(45)29-23-35-13-7-5-8-14-35)43-39-17-11-12-18-40(39)44(50(56)49(43)55)48(38-27-21-32(2)22-28-38)52-46-34(4)54-58-42(46)30-24-36-15-9-6-10-16-36/h5-30,47-48,51-52,55-56H,1-4H3/b29-23+,30-24+
InChIKey QHGZUBGJSJNFNK-HCTXVGCHSA-N
Molecular Weight 764.926 g/mol
SMILES N(c1c(onc1C)\C=C\c1ccccc1)C(c1c2c(c(c(c1O)O)C(Nc1c(onc1C)\C=C\c1ccccc1)c1ccc(cc1)C)cccc2)c1ccc(cc1)C
SPLASH splash10-0ufr-0602288900-4c608b23a51b2f5d1b9c
Source of Spectrum Y1-53B-416-4f
Synonyms 1,4-Bis(((3-methyl-5-((E)-styryl)isoxazol-4-yl)amino)(p-tolyl)methyl)naphthalene-2,3-diol
Wiley ID 1743618