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Glutaric acid, 2-chloro-6-fluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl tridecyl ester
SpectraBase Compound ID IVfKefB6VQa
InChI InChI=1S/C25H38ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-30-24(28)17-14-18-25(29)31-20-21-22(26)15-13-16-23(21)27/h13,15-16H,2-12,14,17-20H2,1H3
InChIKey BQWWMQHBEYLFQO-UHFFFAOYSA-N
Mol Weight 457.0 g/mol
Molecular Formula C25H38ClFO4
Exact Mass 456.244266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID a6RaPcKbwp
Name Glutaric acid, 2-chloro-6-fluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.244265563 u
Formula C25H38ClFO4
InChI InChI=1S/C25H38ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-30-24(28)17-14-18-25(29)31-20-21-22(26)15-13-16-23(21)27/h13,15-16H,2-12,14,17-20H2,1H3
InChIKey BQWWMQHBEYLFQO-UHFFFAOYSA-N
Molecular Weight 457.026 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCCC