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Glutaric acid, 2-ethylhexyl neopentyl ester
SpectraBase Compound ID 9uQzV3hFNER
InChI InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3
InChIKey NPRGEYSLJVYPPJ-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dat1HHVUXeu
Name Glutaric acid, 2-ethylhexyl neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.245709571 u
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3
InChIKey NPRGEYSLJVYPPJ-UHFFFAOYSA-N
SMILES C(CCC(OCC(CC)CCCC)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963853