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3-Cyano-2-ethoxy-4-phenyl-6-(N-n-butylamino)-1,7,10-antyridine
SpectraBase Compound ID 1zmu39NAUAN
InChI InChI=1S/C24H23N5O/c1-3-5-12-26-22-17-14-18-21(16-9-7-6-8-10-16)19(15-25)24(30-4-2)29-23(18)28-20(17)11-13-27-22/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,27)
InChIKey WQCMFLNHIZTPLM-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C24H23N5O
Exact Mass 397.19026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38XykG1oonn
Name 3-Cyano-2-ethoxy-4-phenyl-6-(N-n-butylamino)-1,7,10-antyridine
Comments Note: The molecular formula of the structure shown is C24H23N5O - which differs from the formula reported for the mass spectrum (C26H28N6)
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Formula C26H28N6
InChI InChI=1S/C24H23N5O/c1-3-5-12-26-22-17-14-18-21(16-9-7-6-8-10-16)19(15-25)24(30-4-2)29-23(18)28-20(17)11-13-27-22/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,27)
InChIKey WQCMFLNHIZTPLM-UHFFFAOYSA-N
Molecular Weight 397.482 g/mol
SMILES N(c1c2cc3c(nc(OCC)c(c3-c3ccccc3)C#N)nc2ccn1)CCCC
SPLASH splash10-0ac1-0009500000-21b308ef3dc8a936e245
Source of Spectrum H1-41-114-6
Synonyms 5-Butylamino-2-ethoxy-4-phenyl-1,6,9-triaza-anthracene-3-carbonitrile
Wiley ID 757062