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Laetisaric acid, o,o'-bis-methyl

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

Laetisaric acid, o,o'-bis-methyl
SpectraBase Compound ID CqzCEEU351p
InChI InChI=1S/C20H36O3/c1-4-5-6-7-8-9-10-13-16-19(22-2)17-14-11-12-15-18-20(21)23-3/h8-9,13,16,19H,4-7,10-12,14-15,17-18H2,1-3H3/b9-8-,16-13-/t19-/m0/s1
InChIKey ARONRDZXYZZNAA-ASXUTHFZSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kn0KXuNLud0
Name Laetisaric acid, o,o'-bis-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.266445016 u
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-4-5-6-7-8-9-10-13-16-19(22-2)17-14-11-12-15-18-20(21)23-3/h8-9,13,16,19H,4-7,10-12,14-15,17-18H2,1-3H3/b9-8-,16-13-/t19-/m0/s1
InChIKey ARONRDZXYZZNAA-ASXUTHFZSA-N
Molecular Weight 324.505 g/mol
SMILES COC(=O)CCCCCC[C@@](OC)(\C=C/C\C=C/CCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976929