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(E/Z)-N,N-Bis[5-(3-benzyloxy-5-nitro-1H-indazole-1-yl)-3-oxapentyl]-5-phenyl-4-pentenamine
SpectraBase Compound ID A2wZccObahk
InChI InChI=1S/C47H49N7O8/c55-53(56)40-20-22-44-42(33-40)46(61-35-38-16-7-2-8-17-38)48-51(44)27-31-59-29-25-50(24-12-4-11-15-37-13-5-1-6-14-37)26-30-60-32-28-52-45-23-21-41(54(57)58)34-43(45)47(49-52)62-36-39-18-9-3-10-19-39/h1-3,5-11,13-23,33-34H,4,12,24-32,35-36H2/b15-11-
InChIKey XJDVVHPPUVUXMK-PTNGSMBKSA-N
Mol Weight 839.9 g/mol
Molecular Formula C47H49N7O8
Exact Mass 839.364262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x237qoT0Lx
Name (E/Z)-N,N-Bis[5-(3-benzyloxy-5-nitro-1H-indazole-1-yl)-3-oxapentyl]-5-phenyl-4-pentenamine
Alternate Name(s) (Z)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxy-1-indazolyl)ethoxy]ethyl]-5-phenyl-4-penten-1-amine (Z)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxyindazol-1-yl)ethoxy]ethyl]-5-phenylpent-4-en-1-amine (Z)-N,N-bis[2-[2-(3-benzyloxy-5-nitro-indazol-1-yl)ethoxy]ethyl]-5-phenyl-pent-4-en-1-amine (Z)-N,N-bis[2-[2-(5-nitro-3-phenylmethoxy-indazol-1-yl)ethoxy]ethyl]-5-phenyl-pent-4-en-1-amine
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Formula C47H49N7O8
InChI InChI=1S/C47H49N7O8/c55-53(56)40-20-22-44-42(33-40)46(61-35-38-16-7-2-8-17-38)48-51(44)27-31-59-29-25-50(24-12-4-11-15-37-13-5-1-6-14-37)26-30-60-32-28-52-45-23-21-41(54(57)58)34-43(45)47(49-52)62-36-39-18-9-3-10-19-39/h1-3,5-11,13-23,33-34H,4,12,24-32,35-36H2/b15-11-
InChIKey XJDVVHPPUVUXMK-PTNGSMBKSA-N
Molecular Weight 839.950 g/mol
SMILES c12c(n[n](c2ccc(N(=O)=O)c1)CCOCCN(CCOCC[n]1nc(OCc2ccccc2)c2c1ccc(N(=O)=O)c2)CCC\C=C/c1ccccc1)OCc1ccccc1
SPLASH splash10-0006-0001010090-6ea838c79fbbd166f233
Source of Spectrum F2-45-2163-35
Wiley ID 1689132