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Dimethylmalonic acid, 4-chlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-chlorophenyl dodecyl ester
SpectraBase Compound ID LkE90eG2Ljt
InChI InChI=1S/C23H35ClO4/c1-4-5-6-7-8-9-10-11-12-13-18-27-21(25)23(2,3)22(26)28-20-16-14-19(24)15-17-20/h14-17H,4-13,18H2,1-3H3
InChIKey ADVYFUZWGXCYFR-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8iXp1JXPwk
Name Dimethylmalonic acid, 4-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-4-5-6-7-8-9-10-11-12-13-18-27-21(25)23(2,3)22(26)28-20-16-14-19(24)15-17-20/h14-17H,4-13,18H2,1-3H3
InChIKey ADVYFUZWGXCYFR-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCC)=O)Cl