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Glutaric acid, 8-chlorooctyl trans-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID A7MzUf6c8YM
InChI InChI=1S/C23H41ClO4/c1-23(2,3)19-13-15-20(16-14-19)28-22(26)12-10-11-21(25)27-18-9-7-5-4-6-8-17-24/h19-20H,4-18H2,1-3H3
InChIKey NQYWJACVZRPXEI-UHFFFAOYSA-N
Mol Weight 417.0 g/mol
Molecular Formula C23H41ClO4
Exact Mass 416.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MiU8DWDYNy
Name Glutaric acid, 8-chlorooctyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.269337496 u
Formula C23H41ClO4
InChI InChI=1S/C23H41ClO4/c1-23(2,3)19-13-15-20(16-14-19)28-22(26)12-10-11-21(25)27-18-9-7-5-4-6-8-17-24/h19-20H,4-18H2,1-3H3
InChIKey NQYWJACVZRPXEI-UHFFFAOYSA-N
Molecular Weight 417.030 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1CCC(C(C)(C)C)CC1)=O