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(S)-3-(Diphenylphosphinothioyl)-N-(2'-hydroxyl-1'-(pyrrolidinocarbonyl)-ethyl)-propanamide

View entire compound with spectra: 2 NMR

(S)-3-(Diphenylphosphinothioyl)-N-(2'-hydroxyl-1'-(pyrrolidinocarbonyl)-ethyl)-propanamide
SpectraBase Compound ID LugGc0C5h2H
InChI InChI=1S/C22H27N2O3PS/c25-17-20(22(27)24-14-7-8-15-24)23-21(26)13-16-28(29,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,25H,7-8,13-17H2,(H,23,26)/t20-/m0/s1
InChIKey LFKGJTHLJGMXTO-FQEVSTJZSA-N
Mol Weight 430.5 g/mol
Molecular Formula C22H27N2O3PS
Exact Mass 430.148001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9BSL3pGLlT
Name (S)-3-(Diphenylphosphinothioyl)-N-(2'-hydroxyl-1'-(pyrrolidinocarbonyl)-ethyl)-propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.148000906 u
Formula C22H27N2O3PS
InChI InChI=1S/C22H27N2O3PS/c25-17-20(22(27)24-14-7-8-15-24)23-21(26)13-16-28(29,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,25H,7-8,13-17H2,(H,23,26)/t20-/m0/s1
InChIKey LFKGJTHLJGMXTO-FQEVSTJZSA-N
Molecular Weight 430.503 g/mol
SMILES C=1(P(=S)(C2=CC=CC=C2)CCC(=O)N[C@@](CO)(C(=O)N2CCCC2)[H])C=CC=CC1