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Glutaric acid, cyclohexylmethyl trans-4-tert-butylcyclohexyl ester

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Glutaric acid, cyclohexylmethyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID 540qOlksk0k
InChI InChI=1S/C22H38O4/c1-22(2,3)18-12-14-19(15-13-18)26-21(24)11-7-10-20(23)25-16-17-8-5-4-6-9-17/h17-19H,4-16H2,1-3H3
InChIKey DEMOISFIAXGSHO-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37mwx4H2F41
Name Glutaric acid, cyclohexylmethyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-22(2,3)18-12-14-19(15-13-18)26-21(24)11-7-10-20(23)25-16-17-8-5-4-6-9-17/h17-19H,4-16H2,1-3H3
InChIKey DEMOISFIAXGSHO-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC1CCC(C(C)(C)C)CC1)=O