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Cyclohexanecarboxylic acid, 3-tridecyl ester

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

Cyclohexanecarboxylic acid, 3-tridecyl ester
SpectraBase Compound ID 9sUwpOblOq3
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-14-17-19(4-2)22-20(21)18-15-12-11-13-16-18/h18-19H,3-17H2,1-2H3
InChIKey SCQCTXQDRXGVEE-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HdApw6qev0h
Name Cyclohexanecarboxylic acid, 3-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-14-17-19(4-2)22-20(21)18-15-12-11-13-16-18/h18-19H,3-17H2,1-2H3
InChIKey SCQCTXQDRXGVEE-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES CCC(OC(=O)C1CCCCC1)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920486