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2-(3'-Diphenylphosphinothioyl-3'-phenyl)-propanamido-2-phenyl-ethanoic_acid_methylester;ISOMER_1

View entire compound with spectra: 3 NMR

2-(3'-Diphenylphosphinothioyl-3'-phenyl)-propanamido-2-phenyl-ethanoic_acid_methylester;ISOMER_1
SpectraBase Compound ID 7x3zrQDOLDQ
InChI InChI=1S/C30H28NO3PS/c1-34-30(33)29(24-16-8-3-9-17-24)31-28(32)22-27(23-14-6-2-7-15-23)35(36,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,29H,22H2,1H3,(H,31,32)/t27?,29-/m0/s1
InChIKey CWVQSOQHGYBMKB-ACEFPKFPSA-N
Mol Weight 513.59 g/mol
Molecular Formula C30H28NO3PS
Exact Mass 513.152752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ei55eOHILWo
Name 2-(3'-Diphenylphosphinothioyl-3'-phenyl)-propanamido-2-phenyl-ethanoic_acid_methylester;ISOMER_1
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.152751935 u
Formula C30H28NO3PS
InChI InChI=1S/C30H28NO3PS/c1-34-30(33)29(24-16-8-3-9-17-24)31-28(32)22-27(23-14-6-2-7-15-23)35(36,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,29H,22H2,1H3,(H,31,32)/t27?,29-/m0/s1
InChIKey CWVQSOQHGYBMKB-ACEFPKFPSA-N
Molecular Weight 513.592 g/mol
SMILES C=1(P(=S)(C2=CC=CC=C2)C(C2=CC=CC=C2)CC(=O)N[C@](C(=O)OC)(C2=CC=CC=C2)[H])C=CC=CC1