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1H-Pyrrole-2,3,4-tricarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, trimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChNydvkr5lb
Name 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, trimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.077321658 u
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 C=1(C(=C(C2=CC=C(C(F)(F)F)C=C2)NC1C(=O)OC)C(=O)OC)C(=O)OC