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1,2-Cyclohexanedicarboxylic acid, cyclobutyl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, cyclobutyl pentadecyl ester
SpectraBase Compound ID Cvch27vqXVh
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)24-20-14-15-21-25(24)27(29)31-23-18-17-19-23/h23-25H,2-22H2,1H3
InChIKey ZWLIKLJULDPPNT-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 I1ZjYjBBjrj
Name 1,2-Cyclohexanedicarboxylic acid, cyclobutyl pentadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)24-20-14-15-21-25(24)27(29)31-23-18-17-19-23/h23-25H,2-22H2,1H3
InChIKey ZWLIKLJULDPPNT-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1C(C(=O)OC2CCC2)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943018