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1,2-Cyclohexanedicarboxylic acid, methyl octyl ester

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

1,2-Cyclohexanedicarboxylic acid, methyl octyl ester
SpectraBase Compound ID 4LroUv9UxQb
InChI InChI=1S/C17H30O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h14-15H,3-13H2,1-2H3
InChIKey YSQLVTLGMPIMCY-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 DDfy3OGIrHD
Name 1,2-Cyclohexanedicarboxylic acid, methyl octyl 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/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h14-15H,3-13H2,1-2H3
InChIKey YSQLVTLGMPIMCY-UHFFFAOYSA-N
SMILES C1(CCCCC1C(OCCCCCCCC)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902621