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(3Z)-2-amino-4-(2-amino-6,8-dimethylchromon-3-yl)buta-1,3-diene-1,1,3-tricarbonitrile
SpectraBase Compound ID 2ip4O1NKVtb
InChI InChI=1S/C18H13N5O2/c1-9-3-10(2)17-13(4-9)16(24)14(18(23)25-17)5-11(6-19)15(22)12(7-20)8-21/h3-5H,22-23H2,1-2H3/b11-5+
InChIKey FAVZBPGTKJRNJB-VZUCSPMQSA-N
Mol Weight 331.33 g/mol
Molecular Formula C18H13N5O2
Exact Mass 331.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiE6vdBiAi1
Name (3Z)-2-amino-4-(2-amino-6,8-dimethylchromon-3-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Appearance Yellow crystals
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Formula C18H13N5O2
InChI InChI=1S/C18H13N5O2/c1-9-3-10(2)17-13(4-9)16(24)14(18(23)25-17)5-11(6-19)15(22)12(7-20)8-21/h3-5H,22-23H2,1-2H3/b11-5+
InChIKey FAVZBPGTKJRNJB-VZUCSPMQSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3354
Molecular Weight 331.335 g/mol
SMILES NC1=C(\C=C\(C(N)=C(C#N)C#N)C#N)C(c2cc(cc(c2O1)C)C)=O
SPLASH splash10-01q9-3109000000-805430bd92baed1e8206
Source of Spectrum Y-55-2850-3
Wiley ID 1880764