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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester
SpectraBase Compound ID 8scRvGMfbJR
InChI InChI=1S/C17H15F8NO6/c18-14(19)16(22,23)17(24,25)15(20,21)9-32-13(28)6-2-5-12(27)31-8-10-3-1-4-11(7-10)26(29)30/h1,3-4,7,14H,2,5-6,8-9H2
InChIKey CJWIVYYHRFQQCL-UHFFFAOYSA-N
Mol Weight 481.3 g/mol
Molecular Formula C17H15F8NO6
Exact Mass 481.077163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NWsahjM3J
Name Glutaric 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 481.077162505 u
Formula C17H15F8NO6
InChI InChI=1S/C17H15F8NO6/c18-14(19)16(22,23)17(24,25)15(20,21)9-32-13(28)6-2-5-12(27)31-8-10-3-1-4-11(7-10)26(29)30/h1,3-4,7,14H,2,5-6,8-9H2
InChIKey CJWIVYYHRFQQCL-UHFFFAOYSA-N
Molecular Weight 481.295 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O