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6-Butyl-2,3-dicyano-5-{4-[bis(2-methoxyethyl)amino]styryl}-7-methyl-6H-1,4-diazepine
SpectraBase Compound ID EAz2N6jdlea
InChI InChI=1S/C26H33N5O2/c1-5-6-7-23-20(2)29-25(18-27)26(19-28)30-24(23)13-10-21-8-11-22(12-9-21)31(14-16-32-3)15-17-33-4/h8-13,23H,5-7,14-17H2,1-4H3/b13-10+
InChIKey PEMASEHDALJSAT-JLHYYAGUSA-N
Mol Weight 447.6 g/mol
Molecular Formula C26H33N5O2
Exact Mass 447.263425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jGGITl3G8R
Name 6-Butyl-2,3-dicyano-5-{4-[bis(2-methoxyethyl)amino]styryl}-7-methyl-6H-1,4-diazepine
Comments Less than 3 mono-isotopic peaks
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Formula C26H33N5O2
InChI InChI=1S/C26H33N5O2/c1-5-6-7-23-20(2)29-25(18-27)26(19-28)30-24(23)13-10-21-8-11-22(12-9-21)31(14-16-32-3)15-17-33-4/h8-13,23H,5-7,14-17H2,1-4H3/b13-10+
InChIKey PEMASEHDALJSAT-JLHYYAGUSA-N
Molecular Weight 447.583 g/mol
SMILES C=1(N=C(C(C(=NC1C#N)C)CCCC)\C=C\c1ccc(cc1)N(CCOC)CCOC)C#N
SPLASH splash10-0udi-0000900000-4fd49b12dfc2e24f291e
Source of Spectrum F-66-9400-3b
Wiley ID 1685120