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4,4-Isoxazolidinedicarboxylic acid, 2-phenyl-3,5-di-2-pyridinyl-, diethyl ester
SpectraBase Compound ID jUZ0yFD5Wd
InChI InChI=1S/C25H25N3O5/c1-3-31-23(29)25(24(30)32-4-2)21(19-14-8-10-16-26-19)28(18-12-6-5-7-13-18)33-22(25)20-15-9-11-17-27-20/h5-17,21-22H,3-4H2,1-2H3
InChIKey FSODNOFLEHBYOS-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C25H25N3O5
Exact Mass 447.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI4aXclwHkx
Name 4,4-Isoxazolidinedicarboxylic acid, 2-phenyl-3,5-di-2-pyridinyl-, diethyl ester
CAS Registry Number 68752-92-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N3O5
InChI InChI=1S/C25H25N3O5/c1-3-31-23(29)25(24(30)32-4-2)21(19-14-8-10-16-26-19)28(18-12-6-5-7-13-18)33-22(25)20-15-9-11-17-27-20/h5-17,21-22H,3-4H2,1-2H3
InChIKey FSODNOFLEHBYOS-UHFFFAOYSA-N
Molecular Weight 447.491 g/mol
SMILES C1(C(N(c2ccccc2)OC1c1ncccc1)c1ncccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-9510000000-2e69340aabe09b939e18
Source of Spectrum B-31-2244-0
Synonyms Diethyl 2-phenyl-3,5-di(2'-pyridyl)isoxazolidine-4,4-dicarboxylate Diethyl 2-phenyl-3,5-di(2-pyridinyl)-4,4-isoxazolidinedicarboxylate
Wiley ID 1386932