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2,5-bis(trifluoromethyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID LbODhJOkxb0
InChI InChI=1S/C12H11F6NO4/c1-3-22-9(20)5-6(10(21)23-4-2)8(12(16,17)18)19-7(5)11(13,14)15/h19H,3-4H2,1-2H3
InChIKey AGJDSJRFDUTLFC-UHFFFAOYSA-N
Mol Weight 347.21 g/mol
Molecular Formula C12H11F6NO4
Exact Mass 347.059227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCrLX6VlhC4
Name 2,5-bis(trifluoromethyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
CAS Registry Number 88149-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F6NO4
InChI InChI=1S/C12H11F6NO4/c1-3-22-9(20)5-6(10(21)23-4-2)8(12(16,17)18)19-7(5)11(13,14)15/h19H,3-4H2,1-2H3
InChIKey AGJDSJRFDUTLFC-UHFFFAOYSA-N
Molecular Weight 347.213 g/mol
SMILES [nH]1c(c(c(c1C(F)(F)F)C(=O)OCC)C(=O)OCC)C(F)(F)F
SPLASH splash10-00pi-3091000000-b5324f90c0c74824b355
Source of Spectrum J-49-4783-0
Synonyms Diethyl 2,5-bis(trifluoromethyl)-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1339841