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2,6-bis{[(2'-Amino-1',2'-dicyanoethenyl)imino]methyl}-4-(t-butyl)phenol
SpectraBase Compound ID KBBbIW1jsL1
InChI InChI=1S/C20H18N8O/c1-20(2,3)14-4-12(10-27-17(8-23)15(25)6-21)19(29)13(5-14)11-28-18(9-24)16(26)7-22/h4-5,10-11,29H,25-26H2,1-3H3/b17-15-,18-16-,27-10+,28-11+
InChIKey DYQHIMOUFJDVKR-AWEJBSQXSA-N
Mol Weight 386.42 g/mol
Molecular Formula C20H18N8O
Exact Mass 386.160357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PzhiLoIwlV
Name 2,6-bis{[(2'-Amino-1',2'-dicyanoethenyl)imino]methyl}-4-(t-butyl)phenol
Alternate Name(s) (2Z)-2-amino-3-({(E)-[3-((E)-{[(E,Z)-2-amino-1,2-dicyanoethenyl]imino}methyl)-5-tert-butyl-2-hydroxyphenyl]methylidene}amino)-2-butenedinitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N8O
InChI InChI=1S/C20H18N8O/c1-20(2,3)14-4-12(10-27-17(8-23)15(25)6-21)19(29)13(5-14)11-28-18(9-24)16(26)7-22/h4-5,10-11,29H,25-26H2,1-3H3/b17-15-,18-16-,27-10+,28-11+
InChIKey DYQHIMOUFJDVKR-AWEJBSQXSA-N
Molecular Weight 386.419 g/mol
SMILES N\C(=C\(\N=C\c1cc(cc(c1O)\C=N\C(=C/(C#N)N)C#N)C(C)(C)C)C#N)C#N
SPLASH splash10-000i-0009000000-b26d3ab81e4ff21d2ed6
Source of Spectrum MN-2003-203-3
Wiley ID 1546606