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2-(3-Chlorophenylamino)-3-(triphenylphosphoranylidene)amino-benzofuro[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID Jr70aDvpD1f
InChI InChI=1S/C34H24ClN4O2P/c35-24-20-22-25(23-21-24)36-34-37-31-29-18-10-11-19-30(29)41-32(31)33(40)39(34)38-42(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H,(H,36,37)
InChIKey KUPDLRWHFLMJEE-UHFFFAOYSA-N
Mol Weight 587.0 g/mol
Molecular Formula C34H24ClN4O2P
Exact Mass 586.132541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXyl0882GpH
Name 2-(3-Chlorophenylamino)-3-(triphenylphosphoranylidene)amino-benzofuro[3,2-d]pyrimidin-4(3H)-one
Appearance White crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H24ClN4O2P
InChI InChI=1S/C34H24ClN4O2P/c35-24-20-22-25(23-21-24)36-34-37-31-29-18-10-11-19-30(29)41-32(31)33(40)39(34)38-42(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H,(H,36,37)
InChIKey KUPDLRWHFLMJEE-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.f26
Molecular Weight 587.019 g/mol
SMILES N(C=1N(C(c2c(c3c(cccc3)o2)N1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-01qi-0950050000-8675a371f0c43cf62ea7
Source of Spectrum ARK-2008-303-6d
Wiley ID 1869309