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Succinic acid, tetradecyl trans-4-tert-butylcyclohexyl ester

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

Succinic acid, tetradecyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID F19y9pbgUn9
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-31-26(29)21-22-27(30)32-25-19-17-24(18-20-25)28(2,3)4/h24-25H,5-23H2,1-4H3
InChIKey XROQQFWAOSOPEM-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6J6sigAF8GH
Name Succinic acid, tetradecyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-31-26(29)21-22-27(30)32-25-19-17-24(18-20-25)28(2,3)4/h24-25H,5-23H2,1-4H3
InChIKey XROQQFWAOSOPEM-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCOC(CCC(OC1CCC(C(C)(C)C)CC1)=O)=O)CCCCCCCCC