For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1S,2S)-2-Dibenzylamino-1-phenyl-3-mercapto-1-propanol 3-acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,2S)-2-Dibenzylamino-1-phenyl-3-mercapto-1-propanol 3-acetate
SpectraBase Compound ID LAcQ2G5ohNk
InChI InChI=1S/C25H27NO2S/c1-20(27)29-19-24(25(28)23-15-9-4-10-16-23)26(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,24-25,28H,17-19H2,1H3/t24-,25+/m1/s1
InChIKey FUXJVQTZJPUDPG-RPBOFIJWSA-N
Mol Weight 405.56 g/mol
Molecular Formula C25H27NO2S
Exact Mass 405.17625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FQRFjLZxCWn
Name (1S,2S)-2-Dibenzylamino-1-phenyl-3-mercapto-1-propanol 3-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.176250285 u
Formula C25H27NO2S
InChI InChI=1S/C25H27NO2S/c1-20(27)29-19-24(25(28)23-15-9-4-10-16-23)26(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,24-25,28H,17-19H2,1H3/t24-,25+/m1/s1
InChIKey FUXJVQTZJPUDPG-RPBOFIJWSA-N
Molecular Weight 405.556 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)([C@](C1=CC=CC=C1)(O)[H])(CSC(=O)C)[H]