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(S)-2-(3'-Diphenylphosphinothioyl)-propanamido-2-isopropylethanoic_acid_methylester

View entire compound with spectra: 2 NMR

(S)-2-(3'-Diphenylphosphinothioyl)-propanamido-2-isopropylethanoic_acid_methylester
SpectraBase Compound ID ABoM31cnFRD
InChI InChI=1S/C21H26NO3PS/c1-16(2)20(21(24)25-3)22-19(23)14-15-26(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKey DOWCEDLRAOBHAY-FQEVSTJZSA-N
Mol Weight 403.48 g/mol
Molecular Formula C21H26NO3PS
Exact Mass 403.137102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tZ3QSnFsE1
Name (S)-2-(3'-Diphenylphosphinothioyl)-propanamido-2-isopropylethanoic_acid_methylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.137101870 u
Formula C21H26NO3PS
InChI InChI=1S/C21H26NO3PS/c1-16(2)20(21(24)25-3)22-19(23)14-15-26(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKey DOWCEDLRAOBHAY-FQEVSTJZSA-N
Molecular Weight 403.477 g/mol
SMILES C=1(P(=S)(C2=CC=CC=C2)CCC(=O)N[C@](C(=O)OC)(C(C)C)[H])C=CC=CC1