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

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

1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl hexyl ester
SpectraBase Compound ID 3L8pZSWqjsS
InChI InChI=1S/C22H38O4/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h18-20H,2-17H2,1H3
InChIKey DKUVZTYOJVMYRR-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EznTOFuC3kn
Name 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h18-20H,2-17H2,1H3
InChIKey DKUVZTYOJVMYRR-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCC)=O)=O)CC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969304