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Phthalic acid, bis(cyclohexylmethyl) ester

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

Phthalic acid, bis(cyclohexylmethyl) ester
SpectraBase Compound ID GbLs6bpvWAF
InChI InChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2
InChIKey VMDTYSXUHXCGJC-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3llDjqvUO1w
Name Phthalic acid, bis(cyclohexylmethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2
InChIKey VMDTYSXUHXCGJC-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC1CCCCC1)C(=O)OCC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872009