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3-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-5-oxo-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(R*)]]-

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3-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-5-oxo-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(R*)]]-
SpectraBase Compound ID 6ZYq3TFV0F1
InChI InChI=1S/C22H25NO5/c1-22(2,3)20-23(21(26)27-14-15-10-6-4-7-11-15)17(19(25)28-20)18(24)16-12-8-5-9-13-16/h4-13,17-18,20,24H,14H2,1-3H3/t17-,18+,20+/m1/s1
InChIKey INWOZZKDHGXNDF-HBFSDRIKSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHbzx1HUW4M
Name 3-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-5-oxo-, phenylmethyl ester, [2S-[2.alpha.,4.beta.(R*)]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.173272904 u
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-22(2,3)20-23(21(26)27-14-15-10-6-4-7-11-15)17(19(25)28-20)18(24)16-12-8-5-9-13-16/h4-13,17-18,20,24H,14H2,1-3H3/t17-,18+,20+/m1/s1
InChIKey INWOZZKDHGXNDF-HBFSDRIKSA-N
Molecular Weight 383.444 g/mol
SMILES [C@]1(N([C@@](OC1=O)(C(C)(C)C)[H])C(OCC=1C=CC=CC1)=O)([C@](C1=CC=CC=C1)(O)[H])[H]