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trans-Dimethyl 5-(Phenylamino)-3,4-diphenylcyclopent-2-en-1-one-2,5-dicarboxylate
SpectraBase Compound ID ENaLyt3LK5M
InChI InChI=1S/C27H23NO5/c1-32-25(30)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)27(24(22)29,26(31)33-2)28-20-16-10-5-11-17-20/h3-17,23,28H,1-2H3/t23-,27+/m1/s1
InChIKey QLSUZEOTKNHNER-KCWPFWIISA-N
Mol Weight 441.48 g/mol
Molecular Formula C27H23NO5
Exact Mass 441.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ptkrK8vnHj
Name trans-Dimethyl 5-(Phenylamino)-3,4-diphenylcyclopent-2-en-1-one-2,5-dicarboxylate
Alternate Name(s) Dimethyl (1S,5R)-1-anilino-2-oxo-4,5-diphenyl-3-cyclopentene-1,3-dicarboxylate
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Formula C27H23NO5
InChI InChI=1S/C27H23NO5/c1-32-25(30)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)27(24(22)29,26(31)33-2)28-20-16-10-5-11-17-20/h3-17,23,28H,1-2H3/t23-,27+/m1/s1
InChIKey QLSUZEOTKNHNER-KCWPFWIISA-N
Molecular Weight 441.483 g/mol
SMILES N([C@@]1(C(C(C(=O)OC)=C([C@]1(c1ccccc1)[H])c1ccccc1)=O)C(=O)OC)c1ccccc1
SPLASH splash10-001m-0059600000-6bcca99a0f0739a1f9be
Source of Spectrum K1-2004-832-4
Wiley ID 1560436