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

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

Succinic acid, butyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID 1GdLhRJtsw9
InChI InChI=1S/C18H32O4/c1-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(8-10-15)18(2,3)4/h14-15H,5-13H2,1-4H3
InChIKey BNJQQUGPNDTCPH-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3YqRtrtaMuF
Name Succinic acid, butyl 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 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(8-10-15)18(2,3)4/h14-15H,5-13H2,1-4H3
InChIKey BNJQQUGPNDTCPH-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES CCCCOC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976228