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

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester
SpectraBase Compound ID 2QbEvdg6AZj
InChI InChI=1S/C15H11F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)4-5-11(26)30-9-3-1-2-8(6-9)24(27)28/h1-3,6,12H,4-5,7H2
InChIKey BOFQALYLHLDHMZ-UHFFFAOYSA-N
Mol Weight 453.24 g/mol
Molecular Formula C15H11F8NO6
Exact Mass 453.045862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHjge8XUWDA
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.045862376 u
Formula C15H11F8NO6
InChI InChI=1S/C15H11F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)4-5-11(26)30-9-3-1-2-8(6-9)24(27)28/h1-3,6,12H,4-5,7H2
InChIKey BOFQALYLHLDHMZ-UHFFFAOYSA-N
Molecular Weight 453.241 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O