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Succinic acid, 2-chloro-5-methylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-chloro-5-methylphenyl dodecyl ester
SpectraBase Compound ID 3x2bpgZ9opm
InChI InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-18-19(2)13-14-20(21)24/h13-14,18H,3-12,15-17H2,1-2H3
InChIKey YCJIILWFWCRXFE-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 C4XxuIFxXDS
Name Succinic acid, 2-chloro-5-methylphenyl 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/c1-3-4-5-6-7-8-9-10-11-12-17-27-22(25)15-16-23(26)28-21-18-19(2)13-14-20(21)24/h13-14,18H,3-12,15-17H2,1-2H3
InChIKey YCJIILWFWCRXFE-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCCCCCC)=O)=O