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3-Heptafluorobutyryloxy-4-methoxybenzoic acid

View entire compound with spectra: 1 FTIR

3-Heptafluorobutyryloxy-4-methoxybenzoic acid
SpectraBase Compound ID 1x78Qnjo8Vo
InChI InChI=1S/C12H7F7O5/c1-23-6-3-2-5(8(20)21)4-7(6)24-9(22)10(13,14)11(15,16)12(17,18)19/h2-4H,1H3,(H,20,21)
InChIKey VUMPWGSNDVRHQC-UHFFFAOYSA-N
Mol Weight 364.17 g/mol
Molecular Formula C12H7F7O5
Exact Mass 364.01817 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 44pMArX0JN7
Name 3-Heptafluorobutyryloxy-4-methoxybenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.018170461 u
Formula C12H7F7O5
InChI InChI=1S/C12H7F7O5/c1-23-6-3-2-5(8(20)21)4-7(6)24-9(22)10(13,14)11(15,16)12(17,18)19/h2-4H,1H3,(H,20,21)
InChIKey VUMPWGSNDVRHQC-UHFFFAOYSA-N
Molecular Weight 364.172 g/mol
SMILES C(C1=CC=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945722