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1,2-Cyclohexanedicarboxylic acid, hexyl isopropyl ester

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

1,2-Cyclohexanedicarboxylic acid, hexyl isopropyl ester
SpectraBase Compound ID AoVsP49P8UY
InChI InChI=1S/C17H30O4/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h13-15H,4-12H2,1-3H3
InChIKey DGXFWVNYSUOIBQ-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F7mL8yj4iGP
Name 1,2-Cyclohexanedicarboxylic acid, hexyl isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h13-15H,4-12H2,1-3H3
InChIKey DGXFWVNYSUOIBQ-UHFFFAOYSA-N
SMILES C(C1CCCCC1C(OCCCCCC)=O)(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840047