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

*Links on SpectraBase are not permalinks.

S-(4"-Methylphenyl) (2'R,4S)-2'-(benzyloxycarbonyl)amino]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate

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

S-(4"-Methylphenyl) (2'R,4S)-2'-(benzyloxycarbonyl)amino]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
SpectraBase Compound ID JiuAdjJAn62
InChI InChI=1S/C22H25NO5S/c1-15-9-11-17(12-10-15)29-20(24)19(18-14-27-22(2,3)28-18)23-21(25)26-13-16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,23,25)/t18-,19-/m1/s1
InChIKey OZBFEOBDWWULDV-RTBURBONSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 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 80xe1DCf2z8
Name S-(4''-Methylphenyl) (2'R,4S)-2'-(benzyloxycarbonyl)amino]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.145344078 u
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-15-9-11-17(12-10-15)29-20(24)19(18-14-27-22(2,3)28-18)23-21(25)26-13-16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,23,25)/t18-,19-/m1/s1
InChIKey OZBFEOBDWWULDV-RTBURBONSA-N
Molecular Weight 415.504 g/mol
SMILES [C@@](C(SC1=CC=C(C=C1)C)=O)([C@@]1(OC(C)(C)OC1)[H])(NC(=O)OCC1=CC=CC=C1)[H]