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 |
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 |