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(4rs)-2,2-Dimethyl-4-diphenylmethyl-3-[(5rs)-3-phenyl-2-isoxazoline-5-carbonyl]oxazolidine
SpectraBase Compound ID GNbbLYZLMzY
InChI InChI=1S/C28H28N2O3/c1-28(2)30(27(31)25-18-23(29-33-25)20-12-6-3-7-13-20)24(19-32-28)26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,24-26H,18-19H2,1-2H3
InChIKey NZOFKGJWXWQTQP-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C28H28N2O3
Exact Mass 440.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzH8Z1SXGak
Name (4rs)-2,2-Dimethyl-4-diphenylmethyl-3-[(5rs)-3-phenyl-2-isoxazoline-5-carbonyl]oxazolidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.209992767 u
Formula C28H28N2O3
InChI InChI=1S/C28H28N2O3/c1-28(2)30(27(31)25-18-23(29-33-25)20-12-6-3-7-13-20)24(19-32-28)26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,24-26H,18-19H2,1-2H3
InChIKey NZOFKGJWXWQTQP-UHFFFAOYSA-N
Molecular Weight 440.543 g/mol
SMILES C(N1C(C(C2=CC=CC=C2)C=2C=CC=CC2)COC1(C)C)(C1ON=C(C1)C1=CC=CC=C1)=O