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2-Methoxybenzoic trifluoroacetic anhydride

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

2-Methoxybenzoic trifluoroacetic anhydride
SpectraBase Compound ID G498YjD9ey8
InChI InChI=1S/C10H7F3O4/c1-16-7-5-3-2-4-6(7)8(14)17-9(15)10(11,12)13/h2-5H,1H3
InChIKey GTWKXKVCZGUBKG-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 Lwha3bhG8FU
Name 2-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/c1-16-7-5-3-2-4-6(7)8(14)17-9(15)10(11,12)13/h2-5H,1H3
InChIKey GTWKXKVCZGUBKG-UHFFFAOYSA-N
Molecular Weight 248.157 g/mol
SMILES C1(=CC=CC=C1C(OC(C(F)(F)F)=O)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883909