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1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester

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

1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester
SpectraBase Compound ID pEnVFyNLDR
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h23-25H,2-22H2,1H3
InChIKey GNSJGDZFWNZPSG-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DWSpGGwkaEn
Name 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h23-25H,2-22H2,1H3
InChIKey GNSJGDZFWNZPSG-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O)CC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967422