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

View entire compound with spectra: 3 NMR

2-(3'-Diphenylphosphinothioyl-3'-phenyl)-propanamido-2-isopropylethanoic_acid_methylester;ISOMER_1
SpectraBase Compound ID AH9z1VbAWCB
InChI InChI=1S/C27H30NO3PS/c1-20(2)26(27(30)31-3)28-25(29)19-24(21-13-7-4-8-14-21)32(33,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24,26H,19H2,1-3H3,(H,28,29)/t24-,26-/m1/s1
InChIKey ACZIKFODTIJAFA-AOYPEHQESA-N
Mol Weight 479.57 g/mol
Molecular Formula C27H30NO3PS
Exact Mass 479.168402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITuz9qsy5bF
Name 2-(3'-Diphenylphosphinothioyl-3'-phenyl)-propanamido-2-isopropylethanoic_acid_methylester;ISOMER_1
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.168401999 u
Formula C27H30NO3PS
InChI InChI=1S/C27H30NO3PS/c1-20(2)26(27(30)31-3)28-25(29)19-24(21-13-7-4-8-14-21)32(33,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24,26H,19H2,1-3H3,(H,28,29)/t24-,26-/m1/s1
InChIKey ACZIKFODTIJAFA-AOYPEHQESA-N
Molecular Weight 479.575 g/mol
SMILES C=1(P(=S)(C2=CC=CC=C2)[C@@](C2=CC=CC=C2)(CC(=O)N[C@@](C(=O)OC)(C(C)C)[H])[H])C=CC=CC1