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Adipic acid, butyl 2-cyclohexylethyl ester

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

Adipic acid, butyl 2-cyclohexylethyl ester
SpectraBase Compound ID 9zTCCjSJcRs
InChI InChI=1S/C18H32O4/c1-2-3-14-21-17(19)11-7-8-12-18(20)22-15-13-16-9-5-4-6-10-16/h16H,2-15H2,1H3
InChIKey ZUAGSFHLABZOEK-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 7MuNaNL0BAm
Name Adipic acid, butyl 2-cyclohexylethyl 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/c1-2-3-14-21-17(19)11-7-8-12-18(20)22-15-13-16-9-5-4-6-10-16/h16H,2-15H2,1H3
InChIKey ZUAGSFHLABZOEK-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(C(=O)OCCC1CCCCC1)CCCC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902273