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2,3-Dicyano-5-{4-[bis(3,5-di-t-butylbenzyl)amino]styryl}-6-ethyl-7-methyl-6H-1,4-diazepine
SpectraBase Compound ID EAogu1S2d8c
InChI InChI=1S/C48H61N5/c1-15-41-32(2)51-43(28-49)44(29-50)52-42(41)21-18-33-16-19-40(20-17-33)53(30-34-22-36(45(3,4)5)26-37(23-34)46(6,7)8)31-35-24-38(47(9,10)11)27-39(25-35)48(12,13)14/h16-27,41H,15,30-31H2,1-14H3/b21-18+
InChIKey BUCSESLQFMPPFX-DYTRJAOYSA-N
Mol Weight 708.1 g/mol
Molecular Formula C48H61N5
Exact Mass 707.492697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKczBeMzJrT
Name 2,3-Dicyano-5-{4-[bis(3,5-di-t-butylbenzyl)amino]styryl}-6-ethyl-7-methyl-6H-1,4-diazepine
Alternate Name(s) 5-((E)-2-{4-[bis(3,5-ditert-butylbenzyl)amino]phenyl}ethenyl)-6-ethyl-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile
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Formula C48H61N5
InChI InChI=1S/C48H61N5/c1-15-41-32(2)51-43(28-49)44(29-50)52-42(41)21-18-33-16-19-40(20-17-33)53(30-34-22-36(45(3,4)5)26-37(23-34)46(6,7)8)31-35-24-38(47(9,10)11)27-39(25-35)48(12,13)14/h16-27,41H,15,30-31H2,1-14H3/b21-18+
InChIKey BUCSESLQFMPPFX-DYTRJAOYSA-N
Molecular Weight 708.051 g/mol
SMILES C=1(N=C(C(C(=NC1C#N)\C=C\c1ccc(cc1)N(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)CC)C)C#N
SPLASH splash10-0zfr-9460030000-37bcb36fc460b8a50f86
Source of Spectrum HC-78-1173-9
Wiley ID 1612704