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1,4-Bis(((5-((E)-2-bromostyryl)-3-methylisoxazol-4-yl)amino)(phenyl)methyl)naphthalene-2,3-diol

View entire compound with spectra: 1 MS (GC)

1,4-Bis(((5-((E)-2-bromostyryl)-3-methylisoxazol-4-yl)amino)(phenyl)methyl)naphthalene-2,3-diol
SpectraBase Compound ID 6SUcy27W5u3
InChI InChI=1S/C48H38Br2N4O4/c1-29-43(39(57-53-29)27-25-31-15-9-13-23-37(31)49)51-45(33-17-5-3-6-18-33)41-35-21-11-12-22-36(35)42(48(56)47(41)55)46(34-19-7-4-8-20-34)52-44-30(2)54-58-40(44)28-26-32-16-10-14-24-38(32)50/h3-28,45-46,51-52,55-56H,1-2H3/b27-25+,28-26+
InChIKey MEZDCXIMSSSUMQ-NBHCHVEOSA-N
Mol Weight 894.7 g/mol
Molecular Formula C48H38Br2N4O4
Exact Mass 892.125982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoLUif9jaeT
Name 1,4-Bis(((5-((E)-2-bromostyryl)-3-methylisoxazol-4-yl)amino)(phenyl)methyl)naphthalene-2,3-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H38Br2N4O4
InChI InChI=1S/C48H38Br2N4O4/c1-29-43(39(57-53-29)27-25-31-15-9-13-23-37(31)49)51-45(33-17-5-3-6-18-33)41-35-21-11-12-22-36(35)42(48(56)47(41)55)46(34-19-7-4-8-20-34)52-44-30(2)54-58-40(44)28-26-32-16-10-14-24-38(32)50/h3-28,45-46,51-52,55-56H,1-2H3/b27-25+,28-26+
InChIKey MEZDCXIMSSSUMQ-NBHCHVEOSA-N
Molecular Weight 894.664 g/mol
SMILES Oc1c(c(c2c(c1C(Nc1c(onc1C)\C=C\c1ccccc1Br)c1ccccc1)cccc2)C(Nc1c(onc1C)\C=C\c1c(cccc1)Br)c1ccccc1)O
SPLASH splash10-0zfs-0935184920-8415e7e414f9e8476c2a
Source of Spectrum Y1-53B-415-4d
Wiley ID 1743616