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Diethylmalonic acid, tetrahydrofurfuryl tridecyl ester

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Diethylmalonic acid, tetrahydrofurfuryl tridecyl ester
SpectraBase Compound ID CNqcioiF6fZ
InChI InChI=1S/C25H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-29-23(26)25(5-2,6-3)24(27)30-21-22-18-17-20-28-22/h22H,4-21H2,1-3H3
InChIKey YDARTEYDJOOPQP-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C25H46O5
Exact Mass 426.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOrPmCedt0a
Name Diethylmalonic acid, tetrahydrofurfuryl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.334524576 u
Formula C25H46O5
InChI InChI=1S/C25H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-29-23(26)25(5-2,6-3)24(27)30-21-22-18-17-20-28-22/h22H,4-21H2,1-3H3
InChIKey YDARTEYDJOOPQP-UHFFFAOYSA-N
Molecular Weight 426.638 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OCC1OCCC1)=O