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N-((1S,2S)-2,4-dibenzoyl-1-(4-nitrophenyl)pent-4-enyl)-P,P-diphenylphosphinic amide
SpectraBase Compound ID 747h8Kw3rQK
InChI InChI=1S/C37H31N2O5P/c1-27(36(40)29-14-6-2-7-15-29)26-34(37(41)30-16-8-3-9-17-30)35(28-22-24-31(25-23-28)39(42)43)38-45(44,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25,34-35H,1,26H2,(H,38,44)/t34-,35+/m0/s1
InChIKey QTUOLMBDGKSJBU-OIDHKYIRSA-N
Mol Weight 614.6 g/mol
Molecular Formula C37H31N2O5P
Exact Mass 614.197059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnsR2XZPcgY
Name N-((1S,2S)-2,4-dibenzoyl-1-(4-nitrophenyl)pent-4-enyl)-P,P-diphenylphosphinic amide
Alternate Name(s) N-((1S,2S)-2,4-dibenzoyl-1-(4-nitrophenyl)pent-4-en-1-yl)-P,P-diphenylphosphinic amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H31N2O5P
InChI InChI=1S/C37H31N2O5P/c1-27(36(40)29-14-6-2-7-15-29)26-34(37(41)30-16-8-3-9-17-30)35(28-22-24-31(25-23-28)39(42)43)38-45(44,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25,34-35H,1,26H2,(H,38,44)/t34-,35+/m0/s1
InChIKey QTUOLMBDGKSJBU-OIDHKYIRSA-N
Molecular Weight 614.638 g/mol
SMILES N([C@@]([C@](CC(C(c1ccccc1)=O)=C)(C(=O)c1ccccc1)[H])(c1ccc(cc1)[N+](=O)[O-])[H])P(c1ccccc1)(c1ccccc1)=O
SPLASH splash10-0pb9-0970310000-99cceab054dc41f82d24
Source of Spectrum ASC-346-1205/SM25-anti_11g
Wiley ID 1767681