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Adipic acid, di(trans-2-methylcyclohexyl) ester

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

Adipic acid, di(trans-2-methylcyclohexyl) ester
SpectraBase Compound ID 2kOAco2jFy6
InChI InChI=1S/C20H34O4/c1-15-9-3-5-11-17(15)23-19(21)13-7-8-14-20(22)24-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3
InChIKey LTIGPFVTUDPCRA-UHFFFAOYSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APmCyIDML82
Name Adipic acid, di(trans-2-methylcyclohexyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-15-9-3-5-11-17(15)23-19(21)13-7-8-14-20(22)24-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3
InChIKey LTIGPFVTUDPCRA-UHFFFAOYSA-N
Molecular Weight 338.488 g/mol
SMILES C(=O)(CCCCC(OC1C(C)CCCC1)=O)OC1CCCCC1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963398