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5-(4-Methoxybenzylidene)-3-(triphenylphosphoranylimino)-2-thioxo-4-imidazolidinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Methoxybenzylidene)-3-(triphenylphosphoranylimino)-2-thioxo-4-imidazolidinone
SpectraBase Compound ID JcKA6oiUyZt
InChI InChI=1S/C29H24N3O2PS/c1-34-23-19-17-22(18-20-23)21-27-28(33)32(29(36)30-27)31-35(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,30,36)/b27-21-
InChIKey JWAKHEYHRHDZME-MEFGMAGPSA-N
Mol Weight 509.56 g/mol
Molecular Formula C29H24N3O2PS
Exact Mass 509.132685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLt7DkJtpXO
Name 5-(4-Methoxybenzylidene)-3-(triphenylphosphoranylimino)-2-thioxo-4-imidazolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.132685195 u
Formula C29H24N3O2PS
InChI InChI=1S/C29H24N3O2PS/c1-34-23-19-17-22(18-20-23)21-27-28(33)32(29(36)30-27)31-35(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,30,36)/b27-21-
InChIKey JWAKHEYHRHDZME-MEFGMAGPSA-N
Molecular Weight 509.564 g/mol
SMILES C=1(P(=NN2C(\C(=C\C3=CC=C(C=C3)OC)NC2=S)=O)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=CC1