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5-Amino-3-(benzylideneamino)-1-(4-methoxyphenyl)-7-phenyl-7H-pyrrolo[1,2-c]imidazole-6-carbonitrile
SpectraBase Compound ID Nk7QCB2nnj
InChI InChI=1S/C27H21N5O/c1-33-21-14-12-20(13-15-21)24-25-23(19-10-6-3-7-11-19)22(16-28)26(29)32(25)27(31-24)30-17-18-8-4-2-5-9-18/h2-15,17,23H,29H2,1H3
InChIKey UCOUJZFUOJULML-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C27H21N5O
Exact Mass 431.17461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeDcMYasb9q
Name 5-Amino-3-(benzylideneamino)-1-(4-methoxyphenyl)-7-phenyl-7H-pyrrolo[1,2-c]imidazole-6-carbonitrile
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N5O
InChI InChI=1S/C27H21N5O/c1-33-21-14-12-20(13-15-21)24-25-23(19-10-6-3-7-11-19)22(16-28)26(29)32(25)27(31-24)30-17-18-8-4-2-5-9-18/h2-15,17,23H,29H2,1H3
InChIKey UCOUJZFUOJULML-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.101
Molecular Weight 431.499 g/mol
SMILES NC1=C(C(c2c(nc([n]12)N=Cc1ccccc1)-c1ccc(cc1)OC)c1ccccc1)C#N
SPLASH splash10-0kai-9336400000-9923baacefcddf22b172
Source of Spectrum BJO-15-SM26-14c
Wiley ID 1845851