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2-Isoxazolidinecarboxylic acid, 3-[[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]-, phenylmethyl ester, [S-(R*,R*)]-

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2-Isoxazolidinecarboxylic acid, 3-[[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]-, phenylmethyl ester, [S-(R*,R*)]-
SpectraBase Compound ID LMK2Nke2w3H
InChI InChI=1S/C22H24N2O7/c1-29-21(27)18(13-15-7-9-17(25)10-8-15)23-20(26)19-11-12-31-24(19)22(28)30-14-16-5-3-2-4-6-16/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)/t18-,19-/m0/s1
InChIKey FYBBOJWHCFEXOP-OALUTQOASA-N
Mol Weight 428.44 g/mol
Molecular Formula C22H24N2O7
Exact Mass 428.158351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID O6u686kJgP
Name 2-Isoxazolidinecarboxylic acid, 3-[[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]-, phenylmethyl ester, [S-(R*,R*)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.158351114 u
Formula C22H24N2O7
InChI InChI=1S/C22H24N2O7/c1-29-21(27)18(13-15-7-9-17(25)10-8-15)23-20(26)19-11-12-31-24(19)22(28)30-14-16-5-3-2-4-6-16/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)/t18-,19-/m0/s1
InChIKey FYBBOJWHCFEXOP-OALUTQOASA-N
Molecular Weight 428.441 g/mol
SMILES [C@]1(N(OCC1)C(OCC=1C=CC=CC1)=O)(C(N[C@](C(=O)OC)(CC1=CC=C(C=C1)O)[H])=O)[H]