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Dimethylmalonic acid, nonyl 3-phenylpropyl ester

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Dimethylmalonic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID AyVet93V752
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-13-18-26-21(24)23(2,3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3
InChIKey HOKSBSLYFODVBM-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap9N9K5cRC0
Name Dimethylmalonic acid, nonyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-13-18-26-21(24)23(2,3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3
InChIKey HOKSBSLYFODVBM-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(=O)(C(C)(C)C(OCCCCCCCCC)=O)OCCCC1=CC=CC=C1