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Dicyclohexyl pentanedioate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Dicyclohexyl pentanedioate
SpectraBase Compound ID 4Ad5sHSf8ql
InChI InChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKey QMHOJBZGLTYRED-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9H2VSCYfeOm
Name Dicyclohexyl pentanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKey QMHOJBZGLTYRED-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES C(OC1CCCCC1)(=O)CCCC(OC1CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977594