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(2S,5S)-2,5-diphenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
SpectraBase Compound ID K5MnEgrkkuf
InChI InChI=1S/C22H21NO6/c1-27-19(24)16-17(20(25)28-2)22(21(26)29-3,15-12-8-5-9-13-15)23-18(16)14-10-6-4-7-11-14/h4-13,18,23H,1-3H3/t18-,22-/m0/s1
InChIKey VOYBPSRFWMAKGM-AVRDEDQJSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNqviCZilH5
Name (2S,5S)-2,5-diphenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
Alternate Name(s) (2S,5S)-2,5-diphenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Trimethyl (2S,5S)-2,5-diphenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CAS Registry Number 131786-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-27-19(24)16-17(20(25)28-2)22(21(26)29-3,15-12-8-5-9-13-15)23-18(16)14-10-6-4-7-11-14/h4-13,18,23H,1-3H3/t18-,22-/m0/s1
InChIKey VOYBPSRFWMAKGM-AVRDEDQJSA-N
Molecular Weight 395.411 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)(c1ccccc1)[H]
SPLASH splash10-0f79-0019000000-6e382600a9d20375a554
Source of Spectrum F-46-6477-7
Wiley ID 1367054