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1,2-Cyclohexanedicarboxylic acid, isobutyl propyl ester

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

1,2-Cyclohexanedicarboxylic acid, isobutyl propyl ester
SpectraBase Compound ID FqZwsqaZqTA
InChI InChI=1S/C15H26O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h11-13H,4-10H2,1-3H3
InChIKey SZAJLQTUDWVUSQ-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GsPk6JVR9bP
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h11-13H,4-10H2,1-3H3
InChIKey SZAJLQTUDWVUSQ-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C1(CCCCC1C(OCCC)=O)C(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870324