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Glutaric acid, cyclohexylmethyl 2-methylpentyl ester

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

Glutaric acid, cyclohexylmethyl 2-methylpentyl ester
SpectraBase Compound ID 6pZRrvobU8m
InChI InChI=1S/C18H32O4/c1-3-8-15(2)13-21-17(19)11-7-12-18(20)22-14-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3
InChIKey FVRUEVOKUBTYNP-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ewcmv10Lxl
Name Glutaric acid, cyclohexylmethyl 2-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-3-8-15(2)13-21-17(19)11-7-12-18(20)22-14-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3
InChIKey FVRUEVOKUBTYNP-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909669