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Glutaric acid, di(3-octyl) ester

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

Glutaric acid, di(3-octyl) ester
SpectraBase Compound ID 5sbHZOPGedj
InChI InChI=1S/C21H40O4/c1-5-9-11-14-18(7-3)24-20(22)16-13-17-21(23)25-19(8-4)15-12-10-6-2/h18-19H,5-17H2,1-4H3
InChIKey XADJYJIAPYHSDF-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Uz9mGZFtlU
Name Glutaric acid, di(3-octyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-5-9-11-14-18(7-3)24-20(22)16-13-17-21(23)25-19(8-4)15-12-10-6-2/h18-19H,5-17H2,1-4H3
InChIKey XADJYJIAPYHSDF-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(OC(CC)CCCCC)(=O)CCCC(OC(CC)CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924503