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1,2-Cyclohexanedicarboxylic acid, isobutyl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, isobutyl pentadecyl ester
SpectraBase Compound ID CVyxixaZFZs
InChI InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-22-23(2)3/h23-25H,4-22H2,1-3H3
InChIKey FUMVBEXEMVZNKZ-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1d1KOfW0yIh
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-22-23(2)3/h23-25H,4-22H2,1-3H3
InChIKey FUMVBEXEMVZNKZ-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946437