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6-Butyl-2,3-dicyano-5-{4-[bis(2,5,8,11-tetraoxa-13-tridecanyl)amino]styryl}-7-methyl-6H-1,4-diazepine
SpectraBase Compound ID 3GxQ3d1Bt2d
InChI InChI=1S/C38H57N5O8/c1-5-6-7-35-32(2)41-37(30-39)38(31-40)42-36(35)13-10-33-8-11-34(12-9-33)43(14-16-46-22-24-50-28-26-48-20-18-44-3)15-17-47-23-25-51-29-27-49-21-19-45-4/h8-13,35H,5-7,14-29H2,1-4H3/b13-10+
InChIKey FYGBBEASCGKSCW-JLHYYAGUSA-N
Mol Weight 711.9 g/mol
Molecular Formula C38H57N5O8
Exact Mass 711.420714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZJkFAN8PJD
Name 6-Butyl-2,3-dicyano-5-{4-[bis(2,5,8,11-tetraoxa-13-tridecanyl)amino]styryl}-7-methyl-6H-1,4-diazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H57N5O8
InChI InChI=1S/C38H57N5O8/c1-5-6-7-35-32(2)41-37(30-39)38(31-40)42-36(35)13-10-33-8-11-34(12-9-33)43(14-16-46-22-24-50-28-26-48-20-18-44-3)15-17-47-23-25-51-29-27-49-21-19-45-4/h8-13,35H,5-7,14-29H2,1-4H3/b13-10+
InChIKey FYGBBEASCGKSCW-JLHYYAGUSA-N
Molecular Weight 711.901 g/mol
SMILES C=1(N=C(C(C(=NC1C#N)C)CCCC)\C=C\c1ccc(N(CCOCCOCCOCCOC)CCOCCOCCOCCOC)cc1)C#N
SPLASH splash10-001i-0000090200-bdedda66cb9a3517bf81
Source of Spectrum F-66-9400-3e
Wiley ID 1685118