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Adipic acid, cyclohexyl ethyl ester

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

Adipic acid, cyclohexyl ethyl ester
SpectraBase Compound ID BDlzAxPDT4j
InChI InChI=1S/C14H24O4/c1-2-17-13(15)10-6-7-11-14(16)18-12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKey NBQOVCCBSIEBGI-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LTr0Sd86I5S
Name Adipic acid, cyclohexyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-2-17-13(15)10-6-7-11-14(16)18-12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKey NBQOVCCBSIEBGI-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES C(=O)(CCCCC(OCC)=O)OC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963185