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4-Pyrazolidinecarboxylic acid, 2-methyl-1-phenyl-3-(2-pyridinyl)-, phenylmethyl ester, trans-
SpectraBase Compound ID 4psPw1t6dpr
InChI InChI=1S/C23H23N3O2/c1-25-22(21-14-8-9-15-24-21)20(16-26(25)19-12-6-3-7-13-19)23(27)28-17-18-10-4-2-5-11-18/h2-15,20,22H,16-17H2,1H3/t20-,22-/m0/s1
InChIKey BMDSGQORIILTMH-UNMCSNQZSA-N
Mol Weight 373.46 g/mol
Molecular Formula C23H23N3O2
Exact Mass 373.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE5vtiBzvum
Name 4-Pyrazolidinecarboxylic acid, 2-methyl-1-phenyl-3-(2-pyridinyl)-, phenylmethyl ester, trans-
CAS Registry Number 118158-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N3O2
InChI InChI=1S/C23H23N3O2/c1-25-22(21-14-8-9-15-24-21)20(16-26(25)19-12-6-3-7-13-19)23(27)28-17-18-10-4-2-5-11-18/h2-15,20,22H,16-17H2,1H3/t20-,22-/m0/s1
InChIKey BMDSGQORIILTMH-UNMCSNQZSA-N
Molecular Weight 373.456 g/mol
SMILES C1N(N([C@@]([C@]1(C(OCc1ccccc1)=O)[H])(c1ncccc1)[H])C)c1ccccc1
SPLASH splash10-0ab9-0937000000-e8716e5c2475cf1bdb37
Source of Spectrum F-43-5884-31
Synonyms 1-Phenyl-2-methyl-3-(2-pyridiyl)-5-benzyloxypyrazolidine benzyl (3S,4S)-2-methyl-1-phenyl-3-(2-pyridinyl)-4-pyrazolidinecarboxylate
Wiley ID 1356196