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Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester

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Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester
SpectraBase Compound ID LjvXQEQ38lw
InChI InChI=1S/C19H21F5O4/c20-15-12(16(21)18(23)19(24)17(15)22)10-28-14(26)8-4-7-13(25)27-9-11-5-2-1-3-6-11/h11H,1-10H2
InChIKey VUJFOKJBJNVZGW-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C19H21F5O4
Exact Mass 408.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gob15106gkL
Name Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.135999967 u
Formula C19H21F5O4
InChI InChI=1S/C19H21F5O4/c20-15-12(16(21)18(23)19(24)17(15)22)10-28-14(26)8-4-7-13(25)27-9-11-5-2-1-3-6-11/h11H,1-10H2
InChIKey VUJFOKJBJNVZGW-UHFFFAOYSA-N
Molecular Weight 408.365 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O