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Salicylic acid, o-heptafluorobutyryl-, benzyl ester

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Salicylic acid, o-heptafluorobutyryl-, benzyl ester
SpectraBase Compound ID HqjHQEfJXe7
InChI InChI=1S/C18H11F7O4/c19-16(20,17(21,22)18(23,24)25)15(27)29-13-9-5-4-8-12(13)14(26)28-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey TWKSLDKHADEAMA-UHFFFAOYSA-N
Mol Weight 424.27 g/mol
Molecular Formula C18H11F7O4
Exact Mass 424.054556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NVJtgyZMc1
Name Salicylic acid, o-heptafluorobutyryl-, benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.054555971 u
Formula C18H11F7O4
InChI InChI=1S/C18H11F7O4/c19-16(20,17(21,22)18(23,24)25)15(27)29-13-9-5-4-8-12(13)14(26)28-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey TWKSLDKHADEAMA-UHFFFAOYSA-N
Molecular Weight 424.271 g/mol
SMILES C(OCC1=CC=CC=C1)(=O)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1