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4-Imidazolidinecarboxylic acid, 1-(3-chlorophenyl)-5-oxo-2,3-diphenyl-, ethyl ester, trans-
SpectraBase Compound ID AJeTXPk20R8
InChI InChI=1S/C24H21ClN2O3/c1-2-30-24(29)21-23(28)27(20-15-9-12-18(25)16-20)22(17-10-5-3-6-11-17)26(21)19-13-7-4-8-14-19/h3-16,21-22H,2H2,1H3/t21-,22-/m0/s1
InChIKey MPAIAOZKBSHBJD-VXKWHMMOSA-N
Mol Weight 420.9 g/mol
Molecular Formula C24H21ClN2O3
Exact Mass 420.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbhiEBV7Vel
Name 4-Imidazolidinecarboxylic acid, 1-(3-chlorophenyl)-5-oxo-2,3-diphenyl-, ethyl ester, trans-
CAS Registry Number 68195-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClN2O3
InChI InChI=1S/C24H21ClN2O3/c1-2-30-24(29)21-23(28)27(20-15-9-12-18(25)16-20)22(17-10-5-3-6-11-17)26(21)19-13-7-4-8-14-19/h3-16,21-22H,2H2,1H3/t21-,22-/m0/s1
InChIKey MPAIAOZKBSHBJD-VXKWHMMOSA-N
Molecular Weight 420.896 g/mol
SMILES C1(N([C@](N([C@@]1(C(=O)OCC)[H])c1ccccc1)(c1ccccc1)[H])c1cc(Cl)ccc1)=O
SPLASH splash10-0fr2-4967100000-7194d140a5df30d878f3
Source of Spectrum F-34-1160-0
Synonyms 3-m-chlorophenyl-1,2.alpha.-diphenyl-5.beta.-ethoxycarbonyl-4-imidazolidone Ethyl (2S,4S)-1-(3-chlorophenyl)-5-oxo-2,3-diphenyl-4-imidazolidinecarboxylate
Wiley ID 1377990