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(2S,5S)-2-(4-chlorophenyl)-5-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester
SpectraBase Compound ID KYm7bbNHWR9
InChI InChI=1S/C22H20ClNO6/c1-28-19(25)16-17(20(26)29-2)22(21(27)30-3,14-9-11-15(23)12-10-14)24-18(16)13-7-5-4-6-8-13/h4-12,18,24H,1-3H3/t18-,22-/m0/s1
InChIKey BBRQTFCNQKFWEV-AVRDEDQJSA-N
Mol Weight 429.86 g/mol
Molecular Formula C22H20ClNO6
Exact Mass 429.097915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0P1VNvtqyt
Name (2S,5S)-2-(4-chlorophenyl)-5-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester
CAS Registry Number 131786-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClNO6
InChI InChI=1S/C22H20ClNO6/c1-28-19(25)16-17(20(26)29-2)22(21(27)30-3,14-9-11-15(23)12-10-14)24-18(16)13-7-5-4-6-8-13/h4-12,18,24H,1-3H3/t18-,22-/m0/s1
InChIKey BBRQTFCNQKFWEV-AVRDEDQJSA-N
Molecular Weight 429.856 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)c1ccc(cc1)Cl)C(=O)OC)C(=O)OC)(c1ccccc1)[H]
SPLASH splash10-03di-0009000000-4406d146e617bd069846
Source of Spectrum F-46-6477-7
Synonyms (2S,5S)-5-(4-chlorophenyl)-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester Trimethyl (2S,5S)-5-(4-chlorophenyl)-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
Wiley ID 1381138