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2-(4-Methylphenylamino)-3-(triphenylphosphoranylidene)amino-benzofuro[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID DeUy1eu263L
InChI InChI=1S/C35H27N4O2P/c1-25-21-23-26(24-22-25)36-35-37-32-30-19-11-12-20-31(30)41-33(32)34(40)39(35)38-42(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3,(H,36,37)
InChIKey JTTPFXHPYYOPHE-UHFFFAOYSA-N
Mol Weight 566.6 g/mol
Molecular Formula C35H27N4O2P
Exact Mass 566.187163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FRLdS9PBbd
Name 2-(4-Methylphenylamino)-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 C35H27N4O2P
InChI InChI=1S/C35H27N4O2P/c1-25-21-23-26(24-22-25)36-35-37-32-30-19-11-12-20-31(30)41-33(32)34(40)39(35)38-42(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3,(H,36,37)
InChIKey JTTPFXHPYYOPHE-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.f26
Molecular Weight 566.601 g/mol
SMILES N(C=1N(C(c2c(c3c(cccc3)o2)N1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C
SPLASH splash10-053r-2920020000-634c55d856b703ce0599
Source of Spectrum ARK-2008-303-6b
Wiley ID 1869307