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Adipic acid, 2,4-dimethylpent-3-yl pentyl ester

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

Adipic acid, 2,4-dimethylpent-3-yl pentyl ester
SpectraBase Compound ID 2Cw8sTCi2Gn
InChI InChI=1S/C18H34O4/c1-6-7-10-13-21-16(19)11-8-9-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3
InChIKey MAFBFTLNTFTGDB-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 Cr6bmkjxeC5
Name Adipic acid, 2,4-dimethylpent-3-yl pentyl 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/c1-6-7-10-13-21-16(19)11-8-9-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3
InChIKey MAFBFTLNTFTGDB-UHFFFAOYSA-N
SMILES C(OC(C(C)C)C(C)C)(CCCCC(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831231