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(2S,5S)-2-(4-nitrophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
SpectraBase Compound ID 1UZDkNjXJap
InChI InChI=1S/C22H20N2O8/c1-30-19(25)16-17(20(26)31-2)22(21(27)32-3,14-7-5-4-6-8-14)23-18(16)13-9-11-15(12-10-13)24(28)29/h4-12,18,23H,1-3H3/t18-,22-/m0/s1
InChIKey SDARBTMSSRTGIG-AVRDEDQJSA-N
Mol Weight 440.41 g/mol
Molecular Formula C22H20N2O8
Exact Mass 440.121966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lY7Z2KzEFm
Name (2S,5S)-2-(4-nitrophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
Alternate Name(s) (2S,5S)-5-(4-nitrophenyl)-2-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester trimethyl (2S,5S)-2-(4-nitrophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CAS Registry Number 89330-89-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O8
InChI InChI=1S/C22H20N2O8/c1-30-19(25)16-17(20(26)31-2)22(21(27)32-3,14-7-5-4-6-8-14)23-18(16)13-9-11-15(12-10-13)24(28)29/h4-12,18,23H,1-3H3/t18-,22-/m0/s1
InChIKey SDARBTMSSRTGIG-AVRDEDQJSA-N
Molecular Weight 440.408 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-001i-0009000000-d55ddf136ce4453f7746
Source of Spectrum F-46-6477-7
Wiley ID 1384597