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6-[4-(4-Butoxyphenyliminomethyl)phenylethynyl]isoquinoline
SpectraBase Compound ID JreS7zQOfZs
InChI InChI=1S/C28H24N2O/c1-2-3-18-31-28-14-12-27(13-15-28)30-20-24-8-5-22(6-9-24)4-7-23-10-11-26-21-29-17-16-25(26)19-23/h5-6,8-17,19-21H,2-3,18H2,1H3/b30-20+
InChIKey KUNJJCIRRMDCNJ-TWKHWXDSSA-N
Mol Weight 404.51 g/mol
Molecular Formula C28H24N2O
Exact Mass 404.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY7Q3brrPrq
Name 6-[4-(4-Butoxyphenyliminomethyl)phenylethynyl]isoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C28H24N2O
InChI InChI=1S/C28H24N2O/c1-2-3-18-31-28-14-12-27(13-15-28)30-20-24-8-5-22(6-9-24)4-7-23-10-11-26-21-29-17-16-25(26)19-23/h5-6,8-17,19-21H,2-3,18H2,1H3/b30-20+
InChIKey KUNJJCIRRMDCNJ-TWKHWXDSSA-N
Molecular Weight 404.513 g/mol
SMILES C(#Cc1ccc(\C=N\c2ccc(cc2)OCCCC)cc1)c1cc2ccncc2cc1
SPLASH splash10-0f6t-0006900000-9c80a3d3c7782411c145
Source of Spectrum KC-0-444-6
Synonyms 4-butoxy-N-{(E)-[4-(6-isoquinolinylethynyl)phenyl]methylidene}aniline N-(4-butoxyphenyl)-N-{(E)-[4-(6-isoquinolinylethynyl)phenyl]methylidene}amine
Wiley ID 825090