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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-nitrophenyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-nitrophenyl ester
SpectraBase Compound ID 7wIDkRyCN4Q
InChI InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)2-1-3-12(27)31-10-6-4-9(5-7-10)25(28)29/h4-7,13H,1-3,8H2
InChIKey CAVMXZQGESELPR-UHFFFAOYSA-N
Mol Weight 467.27 g/mol
Molecular Formula C16H13F8NO6
Exact Mass 467.061512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5cV9bUGWC8
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-nitrophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.061512441 u
Formula C16H13F8NO6
InChI InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)2-1-3-12(27)31-10-6-4-9(5-7-10)25(28)29/h4-7,13H,1-3,8H2
InChIKey CAVMXZQGESELPR-UHFFFAOYSA-N
Molecular Weight 467.268 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O