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5-Amino-3-(benzylideneamino)-1-(4-chlorophenyl)-7-phenyl-7H-pyrrolo[1,2-c]imidazole-6-carbonitrile
SpectraBase Compound ID 7Gt9NPwvA0E
InChI InChI=1S/C26H18ClN5/c27-20-13-11-19(12-14-20)23-24-22(18-9-5-2-6-10-18)21(15-28)25(29)32(24)26(31-23)30-16-17-7-3-1-4-8-17/h1-14,16,22H,29H2
InChIKey NTVPHVJEUIZQPD-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C26H18ClN5
Exact Mass 435.125073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hv0RpRLRzz
Name 5-Amino-3-(benzylideneamino)-1-(4-chlorophenyl)-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 C26H18ClN5
InChI InChI=1S/C26H18ClN5/c27-20-13-11-19(12-14-20)23-24-22(18-9-5-2-6-10-18)21(15-28)25(29)32(24)26(31-23)30-16-17-7-3-1-4-8-17/h1-14,16,22H,29H2
InChIKey NTVPHVJEUIZQPD-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.101
Molecular Weight 435.918 g/mol
SMILES NC1=C(C(c2c(nc([n]12)N=Cc1ccccc1)-c1ccc(cc1)Cl)c1ccccc1)C#N
SPLASH splash10-0abr-1454900000-9430cf8ee57f8e5a98c5
Source of Spectrum BJO-15-SM25-14b
Wiley ID 1845850