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Adipic acid, di(4-heptyl) ester

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

Adipic acid, di(4-heptyl) ester
SpectraBase Compound ID LbQzrWqMGZw
InChI InChI=1S/C20H38O4/c1-5-11-17(12-6-2)23-19(21)15-9-10-16-20(22)24-18(13-7-3)14-8-4/h17-18H,5-16H2,1-4H3
InChIKey HNQHQIDQYDVUAS-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5M2dCQPlsxi
Name Adipic acid, di(4-heptyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-5-11-17(12-6-2)23-19(21)15-9-10-16-20(22)24-18(13-7-3)14-8-4/h17-18H,5-16H2,1-4H3
InChIKey HNQHQIDQYDVUAS-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCC(OC(CCC)CCC)=O)CC(OC(CCC)CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964244