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Diethylmalonic acid, 2-chlorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl heptadecyl ester
SpectraBase Compound ID LNmJyjHvBnx
InChI InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKey FCICHOIPTPCMRR-UHFFFAOYSA-N
Mol Weight 509.2 g/mol
Molecular Formula C30H49ClO4
Exact Mass 508.331938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7p1SWAyEvMJ
Name Diethylmalonic acid, 2-chlorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.331937754 u
Formula C30H49ClO4
InChI InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3
InChIKey FCICHOIPTPCMRR-UHFFFAOYSA-N
Molecular Weight 509.171 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC