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2-Imino-4-[3'-pyrazine-2"-carboxamido)phenyl]-6-(p-methoxyphenyl)cyclohexa-3,5-diene-1,1,3-tricarbonitrile
SpectraBase Compound ID FZA9Fp1vIiS
InChI InChI=1S/C27H17N7O2/c1-36-20-7-5-17(6-8-20)23-12-21(22(13-28)25(31)27(23,15-29)16-30)18-3-2-4-19(11-18)34-26(35)24-14-32-9-10-33-24/h2-12,14,31H,1H3,(H,34,35)
InChIKey RQMGTVINOBXTAT-UHFFFAOYSA-N
Mol Weight 471.48 g/mol
Molecular Formula C27H17N7O2
Exact Mass 471.144373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3txhwgQxKQ
Name 2-Imino-4-[3'-pyrazine-2"-carboxamido)phenyl]-6-(p-methoxyphenyl)cyclohexa-3,5-diene-1,1,3-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17N7O2
InChI InChI=1S/C27H17N7O2/c1-36-20-7-5-17(6-8-20)23-12-21(22(13-28)25(31)27(23,15-29)16-30)18-3-2-4-19(11-18)34-26(35)24-14-32-9-10-33-24/h2-12,14,31H,1H3,(H,34,35)
InChIKey RQMGTVINOBXTAT-UHFFFAOYSA-N
Molecular Weight 471.480 g/mol
SMILES N=C1C(=C(c2cc(NC(c3nccnc3)=O)ccc2)C=C(C1(C#N)C#N)c1ccc(cc1)OC)C#N
SPLASH splash10-00bc-9205700000-865a11bc2bc6778ed80b
Source of Spectrum QA-71-478-11
Wiley ID 1612139