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Glutaric acid, cyclohexylmethyl 2-methylbutyl ester

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Glutaric acid, cyclohexylmethyl 2-methylbutyl ester
SpectraBase Compound ID AzIkm2UZXJS
InChI InChI=1S/C17H30O4/c1-3-14(2)12-20-16(18)10-7-11-17(19)21-13-15-8-5-4-6-9-15/h14-15H,3-13H2,1-2H3
InChIKey APBNWAGXYQNKOG-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9J84P4M2tsk
Name Glutaric acid, cyclohexylmethyl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-3-14(2)12-20-16(18)10-7-11-17(19)21-13-15-8-5-4-6-9-15/h14-15H,3-13H2,1-2H3
InChIKey APBNWAGXYQNKOG-UHFFFAOYSA-N
SMILES C(CCC(OCC1CCCCC1)=O)C(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885071