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

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

Succinic acid, propyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID GFnQYF6534l
InChI InChI=1S/C17H30O4/c1-5-12-20-15(18)10-11-16(19)21-14-8-6-13(7-9-14)17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKey IDMRWPLEEFUJFP-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Ct7sbEWZDW
Name Succinic acid, propyl trans-4-tert-butylcyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-12-20-15(18)10-11-16(19)21-14-8-6-13(7-9-14)17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKey IDMRWPLEEFUJFP-UHFFFAOYSA-N
SMILES C1C(CCC(C1)C(C)(C)C)OC(CCC(=O)OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976933