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Adipic acid, cyclohexylmethyl isohexyl ester

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

Adipic acid, cyclohexylmethyl isohexyl ester
SpectraBase Compound ID IUWwBd0WfBF
InChI InChI=1S/C19H34O4/c1-16(2)9-8-14-22-18(20)12-6-7-13-19(21)23-15-17-10-4-3-5-11-17/h16-17H,3-15H2,1-2H3
InChIKey VARUNTRWTZNLGT-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID gE3dhH8J1L
Name Adipic acid, cyclohexylmethyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.245709571 u
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-16(2)9-8-14-22-18(20)12-6-7-13-19(21)23-15-17-10-4-3-5-11-17/h16-17H,3-15H2,1-2H3
InChIKey VARUNTRWTZNLGT-UHFFFAOYSA-N
Molecular Weight 326.477 g/mol
SMILES C1C(CCCC1)COC(=O)CCCCC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883925