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Glutaric acid, 2-methylpent-3-yl pentafluorobenzyl ester

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Glutaric acid, 2-methylpent-3-yl pentafluorobenzyl ester
SpectraBase Compound ID 925tZ87azig
InChI InChI=1S/C18H21F5O4/c1-4-11(9(2)3)27-13(25)7-5-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h9,11H,4-8H2,1-3H3
InChIKey URIIEMYFNQMNHZ-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C18H21F5O4
Exact Mass 396.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eWCulpJuu
Name Glutaric acid, 2-methylpent-3-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.135999967 u
Formula C18H21F5O4
InChI InChI=1S/C18H21F5O4/c1-4-11(9(2)3)27-13(25)7-5-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h9,11H,4-8H2,1-3H3
InChIKey URIIEMYFNQMNHZ-UHFFFAOYSA-N
Molecular Weight 396.354 g/mol
SMILES C(CCC(OC(CC)C(C)C)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O