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1H-Pyrrole-2,3,4-tricarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, trimethyl ester
SpectraBase Compound ID 2YGwPKtqqGJ
InChI InChI=1S/C17H14F3NO6/c1-25-14(22)10-11(15(23)26-2)13(16(24)27-3)21-12(10)8-4-6-9(7-5-8)17(18,19)20/h4-7,21H,1-3H3
InChIKey DGACGFOZHBOSLD-UHFFFAOYSA-N
Mol Weight 385.3 g/mol
Molecular Formula C17H14F3NO6
Exact Mass 385.077322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZi5IWDLoM0
Name 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, trimethyl ester
CAS Registry Number 89330-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NO6
InChI InChI=1S/C17H14F3NO6/c1-25-14(22)10-11(15(23)26-2)13(16(24)27-3)21-12(10)8-4-6-9(7-5-8)17(18,19)20/h4-7,21H,1-3H3
InChIKey DGACGFOZHBOSLD-UHFFFAOYSA-N
Molecular Weight 385.295 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)-c1ccc(C(F)(F)F)cc1
SPLASH splash10-0fe0-0019000000-50c229dcf2ef0779c85b
Source of Spectrum F-46-6479-9
Synonyms Trimethyl 5-(4'-trifluoromethylphenyl)pyrrole-2,3,4-tricarboxylate Trimethyl 5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,3,4-tricarboxylate
Wiley ID 1362099