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Glutaric acid, 2-ethylhexyl cis-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 2-ethylhexyl cis-4-tert-butylcyclohexyl ester
SpectraBase Compound ID KEyu4Pa6VNp
InChI InChI=1S/C23H42O4/c1-6-8-10-18(7-2)17-26-21(24)11-9-12-22(25)27-20-15-13-19(14-16-20)23(3,4)5/h18-20H,6-17H2,1-5H3
InChIKey LPHMDBAIUWSUBJ-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID As9BEx6jWpn
Name Glutaric acid, 2-ethylhexyl cis-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-6-8-10-18(7-2)17-26-21(24)11-9-12-22(25)27-20-15-13-19(14-16-20)23(3,4)5/h18-20H,6-17H2,1-5H3
InChIKey LPHMDBAIUWSUBJ-UHFFFAOYSA-N
Molecular Weight 382.585 g/mol
SMILES C(CCC(OCC(CCCC)CC)=O)C(OC1CCC(C(C)(C)C)CC1)=O