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Dimethylmalonic acid, dinonyl ester

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

Dimethylmalonic acid, dinonyl ester
SpectraBase Compound ID E98hSmF3KyY
InChI InChI=1S/C23H44O4/c1-5-7-9-11-13-15-17-19-26-21(24)23(3,4)22(25)27-20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3
InChIKey RDJVHSRLUVRPRF-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 41n9N3UobUb
Name Dimethylmalonic acid, dinonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.323959893 u
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-5-7-9-11-13-15-17-19-26-21(24)23(3,4)22(25)27-20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3
InChIKey RDJVHSRLUVRPRF-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES CCCCCCCCCOC(C(C(=O)OCCCCCCCCC)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914277