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Cyclohexanecarboxylic acid, heptadecyl ester

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

Cyclohexanecarboxylic acid, heptadecyl ester
SpectraBase Compound ID 1i0499NrYAr
InChI InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-24(25)23-20-17-16-18-21-23/h23H,2-22H2,1H3
InChIKey NQWDNKDRNBYQMW-UHFFFAOYSA-N
Mol Weight 366.6 g/mol
Molecular Formula C24H46O2
Exact Mass 366.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3evSkWSlEc
Name Cyclohexanecarboxylic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.349780719 u
Formula C24H46O2
InChI InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-24(25)23-20-17-16-18-21-23/h23H,2-22H2,1H3
InChIKey NQWDNKDRNBYQMW-UHFFFAOYSA-N
Molecular Weight 366.630 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952045