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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester
SpectraBase Compound ID JLujua37vUS
InChI InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-31-12(27)5-4-11(26)30-7-9-2-1-3-10(6-9)25(28)29/h1-3,6,13H,4-5,7-8H2
InChIKey GITWMJRPDDNOAY-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 DIOTnwepFc6
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl 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)8-31-12(27)5-4-11(26)30-7-9-2-1-3-10(6-9)25(28)29/h1-3,6,13H,4-5,7-8H2
InChIKey GITWMJRPDDNOAY-UHFFFAOYSA-N
Molecular Weight 467.268 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O