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Methyl 4-heptafluorobutyryloxybenzoate

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Methyl 4-heptafluorobutyryloxybenzoate
SpectraBase Compound ID EVzA9YNUgb
InChI InChI=1S/C12H7F7O4/c1-22-8(20)6-2-4-7(5-3-6)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey UXBHVJUVNHUREV-UHFFFAOYSA-N
Mol Weight 348.17 g/mol
Molecular Formula C12H7F7O4
Exact Mass 348.023256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2GVpG5Znmzo
Name Methyl 4-heptafluorobutyryloxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.023255842 u
Formula C12H7F7O4
InChI InChI=1S/C12H7F7O4/c1-22-8(20)6-2-4-7(5-3-6)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey UXBHVJUVNHUREV-UHFFFAOYSA-N
Molecular Weight 348.173 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98036