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2-Phenylamino-3-(triphenylphosphoranylidene)amino-benzofuro[3,2-d]pyrimidin-4(3H)- one
SpectraBase Compound ID 84Eq64k3rJv
InChI InChI=1S/C34H25N4O2P/c39-33-32-31(29-23-13-14-24-30(29)40-32)36-34(35-25-15-5-1-6-16-25)38(33)37-41(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H,(H,35,36)
InChIKey HBEPYCFCEKDDHU-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C34H25N4O2P
Exact Mass 552.171513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8S3WceWf6E
Name 2-Phenylamino-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 C34H25N4O2P
InChI InChI=1S/C34H25N4O2P/c39-33-32-31(29-23-13-14-24-30(29)40-32)36-34(35-25-15-5-1-6-16-25)38(33)37-41(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H,(H,35,36)
InChIKey HBEPYCFCEKDDHU-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.f26
Molecular Weight 552.574 g/mol
SMILES N(C=1N(C(c2c(c3c(cccc3)o2)N1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0gx0-0940040000-a4928d77bafb4c74e411
Source of Spectrum ARK-2008-303-6a
Wiley ID 1869306