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

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

1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl undecyl ester
SpectraBase Compound ID IFL7ck4sOLs
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)24-18-12-13-19-25(24)28(30)32-26-20-15-14-17-23(26)22(2)3/h14-15,17,20,22,24-25H,4-13,16,18-19,21H2,1-3H3
InChIKey VUHYXHMIUVGZJF-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D2BcxWnV2Rk
Name 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)24-18-12-13-19-25(24)28(30)32-26-20-15-14-17-23(26)22(2)3/h14-15,17,20,22,24-25H,4-13,16,18-19,21H2,1-3H3
InChIKey VUHYXHMIUVGZJF-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=C(C=CC=C1)C(C)C)C(OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833666