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3-(2-(4-Chlorobenzylidene)hydrazinyl)-7,8-dihydrobenzo[f]pyrimido[4,5-c]isoquinolin-1(2H)-one
SpectraBase Compound ID DbfMxJvG7IT
InChI InChI=1S/C22H16ClN5O/c23-16-9-5-13(6-10-16)11-25-28-22-26-20-19(21(29)27-22)18-15(12-24-20)8-7-14-3-1-2-4-17(14)18/h1-6,9-12H,7-8H2,(H2,24,26,27,28,29)
InChIKey PERKYWRJCXGBTA-UHFFFAOYSA-N
Mol Weight 401.86 g/mol
Molecular Formula C22H16ClN5O
Exact Mass 401.104338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhlzBSfW6vd
Name 3-(2-(4-Chlorobenzylidene)hydrazinyl)-7,8-dihydrobenzo[f]pyrimido[4,5-c]isoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClN5O
InChI InChI=1S/C22H16ClN5O/c23-16-9-5-13(6-10-16)11-25-28-22-26-20-19(21(29)27-22)18-15(12-24-20)8-7-14-3-1-2-4-17(14)18/h1-6,9-12H,7-8H2,(H2,24,26,27,28,29)
InChIKey PERKYWRJCXGBTA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX & GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2632
Molecular Weight 401.857 g/mol
SMILES N1C(c2c(N=C1NN=Cc1ccc(cc1)Cl)ncc1CCc3ccccc3-c21)=O
SPLASH splash10-0006-3190500000-5abcea753688d1105db1
Source of Spectrum Y-54-615-13b
Wiley ID 1877912