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Benzoic acid, 4-(heptafluorobutyryloxy)-

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

Benzoic acid, 4-(heptafluorobutyryloxy)-
SpectraBase Compound ID Fj63vFyV95o
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-5(2-4-6)7(19)20/h1-4H,(H,19,20)
InChIKey YBKNDPVKYZPTLM-UHFFFAOYSA-N
Mol Weight 334.15 g/mol
Molecular Formula C11H5F7O4
Exact Mass 334.007606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9LKs3DTfaIR
Name Benzoic acid, 4-(heptafluorobutyryloxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.007605778 u
Formula C11H5F7O4
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-5(2-4-6)7(19)20/h1-4H,(H,19,20)
InChIKey YBKNDPVKYZPTLM-UHFFFAOYSA-N
Molecular Weight 334.146 g/mol
SMILES C1=CC(=CC=C1C(=O)O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948023