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Octanedioic acid, 2-undecyl-, dimethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Octanedioic acid, 2-undecyl-, dimethyl ester
SpectraBase Compound ID GuokOO2rSx2
InChI InChI=1S/C21H40O4/c1-4-5-6-7-8-9-10-11-13-16-19(21(23)25-3)17-14-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey YERLCRTYOHUWLO-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 3QSosbGYUih
Name Octanedioic acid, 2-undecyl-, dimethyl 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/c1-4-5-6-7-8-9-10-11-13-16-19(21(23)25-3)17-14-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey YERLCRTYOHUWLO-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(C(CCCCCCCCCCC)C(OC)=O)CCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907121