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(S,R)-3-(Thiophosphine)-N-(1-benzyloxymethylpropyl)-butanamide

View entire compound with spectra: 2 NMR

(S,R)-3-(Thiophosphine)-N-(1-benzyloxymethylpropyl)-butanamide
SpectraBase Compound ID HtoIbzNPKps
InChI InChI=1S/2C27H32NO2PS/c2*1-3-24(21-30-20-23-13-7-4-8-14-23)28-27(29)19-22(2)31(32,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h2*4-18,22,24H,3,19-21H2,1-2H3,(H,28,29)/t22-,24+;22-,24-/m01/s1
InChIKey YAAABPGHFNTVGT-VDFWEFCVSA-N
Mol Weight 931.2 g/mol
Molecular Formula C54H64N2O4P2S2
Exact Mass 930.378275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHpA1oOGmwX
Name (S,R)-3-(Thiophosphine)-N-(1-benzyloxymethylpropyl)-butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 930.378274889 u
Formula C54H64N2O4P2S2
InChI InChI=1S/2C27H32NO2PS/c2*1-3-24(21-30-20-23-13-7-4-8-14-23)28-27(29)19-22(2)31(32,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h2*4-18,22,24H,3,19-21H2,1-2H3,(H,28,29)/t22-,24+;22-,24-/m01/s1
InChIKey YAAABPGHFNTVGT-VDFWEFCVSA-N
Molecular Weight 931.184 g/mol
SMILES C(=O)(C[C@@](C)(P(=S)(C1=CC=CC=C1)C1=CC=CC=C1)[H])N[C@](CC)(COCC1=CC=CC=C1)[H].C(=O)(C[C@]([H])(C)P(=S)(C1=CC=CC=C1)C1=CC=CC=C1)N[C@]([H])(CC)COCC1=CC=CC=C1