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Glutaric acid, cyclohexylmethyl 4-methylpent-2-yl ester

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

Glutaric acid, cyclohexylmethyl 4-methylpent-2-yl ester
SpectraBase Compound ID E7x57gzwlhN
InChI InChI=1S/C18H32O4/c1-14(2)12-15(3)22-18(20)11-7-10-17(19)21-13-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3
InChIKey SMHIYWZKFOSYTJ-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 3JDyWC2TnPT
Name Glutaric acid, cyclohexylmethyl 4-methylpent-2-yl 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/c1-14(2)12-15(3)22-18(20)11-7-10-17(19)21-13-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3
InChIKey SMHIYWZKFOSYTJ-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCC(OC(C)CC(C)C)=O)C(OCC1CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891688