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1,2-Cyclohexanedicarboxylic acid, cyclohexyl octyl ester

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1,2-Cyclohexanedicarboxylic acid, cyclohexyl octyl ester
SpectraBase Compound ID KdUoaxkmyPQ
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h18-20H,2-17H2,1H3
InChIKey KFPCRDLEQZNHQP-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JOSFq4AJVeY
Name 1,2-Cyclohexanedicarboxylic acid, cyclohexyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h18-20H,2-17H2,1H3
InChIKey KFPCRDLEQZNHQP-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCC)=O)(=O)OC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938198