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

*Links on SpectraBase are not permalinks.

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

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

(1S,2S)-2-Benzyloxycarbonylamino-1-phenyl-3-mercapto-1-propanol 3-acetate
SpectraBase Compound ID BPnT70gVjaW
InChI InChI=1S/C19H21NO4S/c1-14(21)25-13-17(18(22)16-10-6-3-7-11-16)20-19(23)24-12-15-8-4-2-5-9-15/h2-11,17-18,22H,12-13H2,1H3,(H,20,23)/t17-,18+/m1/s1
InChIKey BZFMLGLCQJLSOO-MSOLQXFVSA-N
Mol Weight 359.44 g/mol
Molecular Formula C19H21NO4S
Exact Mass 359.119129 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 55q1SJSur5N
Name (1S,2S)-2-Benzyloxycarbonylamino-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 359.119129330 u
Formula C19H21NO4S
InChI InChI=1S/C19H21NO4S/c1-14(21)25-13-17(18(22)16-10-6-3-7-11-16)20-19(23)24-12-15-8-4-2-5-9-15/h2-11,17-18,22H,12-13H2,1H3,(H,20,23)/t17-,18+/m1/s1
InChIKey BZFMLGLCQJLSOO-MSOLQXFVSA-N
Molecular Weight 359.440 g/mol
SMILES C(N[C@@]([C@](C=1C=CC=CC1)(O)[H])(CSC(=O)C)[H])(=O)OCC=1C=CC=CC1