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Benzyl 2-[(2S,4S)-4-isopropyl-3-tosyloxazolidin-2-yl]acetate
SpectraBase Compound ID 5heZeiTbifz
InChI InChI=1S/C22H27NO5S/c1-16(2)20-15-27-21(13-22(24)28-14-18-7-5-4-6-8-18)23(20)29(25,26)19-11-9-17(3)10-12-19/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21+/m1/s1
InChIKey ABJKYLFMECAGML-RTWAWAEBSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UAHz9ZNlvz
Name Benzyl 2-[(2S,4S)-4-isopropyl-3-tosyloxazolidin-2-yl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.160994142 u
Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-16(2)20-15-27-21(13-22(24)28-14-18-7-5-4-6-8-18)23(20)29(25,26)19-11-9-17(3)10-12-19/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21+/m1/s1
InChIKey ABJKYLFMECAGML-RTWAWAEBSA-N
Molecular Weight 417.520 g/mol
SMILES C(C[C@@]1(OC[C@@](N1S(=O)(=O)C1=CC=C(C)C=C1)(C(C)C)[H])[H])(=O)OCC1=CC=CC=C1