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2-Chlorobenzoic acid, 2-tetradecyl ester
SpectraBase Compound ID ILiftPMuRvl
InChI InChI=1S/C21H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)24-21(23)19-16-13-14-17-20(19)22/h13-14,16-18H,3-12,15H2,1-2H3
InChIKey BPLSFDFFHWQJEC-UHFFFAOYSA-N
Mol Weight 352.9 g/mol
Molecular Formula C21H33ClO2
Exact Mass 352.216908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYLllVm0kcy
Name 2-Chlorobenzoic acid, 2-tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.216908001 u
Formula C21H33ClO2
InChI InChI=1S/C21H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)24-21(23)19-16-13-14-17-20(19)22/h13-14,16-18H,3-12,15H2,1-2H3
InChIKey BPLSFDFFHWQJEC-UHFFFAOYSA-N
Molecular Weight 352.946 g/mol
SMILES C1=CC=C(C(=C1)Cl)C(OC(CCCCCCCCCCCC)C)=O