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3-Nitro-4-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]benzoic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

3-Nitro-4-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]benzoic acid, methyl ester
SpectraBase Compound ID 9CgpsTriPIt
InChI InChI=1S/C15H10F3NO5/c1-23-14(20)9-5-6-13(12(7-9)19(21)22)24-11-4-2-3-10(8-11)15(16,17)18/h2-8H,1H3
InChIKey UZHOJCODGUFALF-UHFFFAOYSA-N
Mol Weight 341.24 g/mol
Molecular Formula C15H10F3NO5
Exact Mass 341.051107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2OWI1ZoNF
Name 3-Nitro-4-[(alpha,alpha,alpha-trifluoro-m-tolyl)oxy]benzoic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.051106910 u
Formula C15H10F3NO5
InChI InChI=1S/C15H10F3NO5/c1-23-14(20)9-5-6-13(12(7-9)19(21)22)24-11-4-2-3-10(8-11)15(16,17)18/h2-8H,1H3
InChIKey UZHOJCODGUFALF-UHFFFAOYSA-N
Molecular Weight 341.242 g/mol
SMILES COC(C1=CC(=C(C=C1)OC1=CC(=CC=C1)C(F)(F)F)N(=O)=O)=O