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3-Methoxybenzoic trifluoroacetic anhydride

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

3-Methoxybenzoic trifluoroacetic anhydride
SpectraBase Compound ID 64CaJIGUlFX
InChI InChI=1S/C10H7F3O4/c1-16-7-4-2-3-6(5-7)8(14)17-9(15)10(11,12)13/h2-5H,1H3
InChIKey PFWPOZVEUZVDOJ-UHFFFAOYSA-N
Mol Weight 248.16 g/mol
Molecular Formula C10H7F3O4
Exact Mass 248.029643 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dogqq2kMcvb
Name 3-Methoxybenzoic trifluoroacetic anhydride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.029643190 u
Formula C10H7F3O4
InChI InChI=1S/C10H7F3O4/c1-16-7-4-2-3-6(5-7)8(14)17-9(15)10(11,12)13/h2-5H,1H3
InChIKey PFWPOZVEUZVDOJ-UHFFFAOYSA-N
Molecular Weight 248.157 g/mol
SMILES C1=C(C=CC=C1C(OC(C(F)(F)F)=O)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902871