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Eicosanedioic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

Eicosanedioic acid
SpectraBase Compound ID C2dbMUQBkXg
InChI InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
InChIKey JJOJFIHJIRWASH-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 GSYeDrp9AAx
Name Eicosanedioic acid
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/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
InChIKey JJOJFIHJIRWASH-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES OC(CCCCCCCCCCCCCCCCCCC(O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966879