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Cyclohexanecarboxylic acid, undecyl ester

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

Cyclohexanecarboxylic acid, undecyl ester
SpectraBase Compound ID 3kDvdY70QIn
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h17H,2-16H2,1H3
InChIKey BTFNOAHOLGBKRX-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5wmY9EGBIxe
Name Cyclohexanecarboxylic acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h17H,2-16H2,1H3
InChIKey BTFNOAHOLGBKRX-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES C(CCCCCCCCCC)OC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958336