SpectraBase Spectrum ID |
KCA32SQFPd7 |
Name |
Dimethylmalonic acid, 2,4,6-trichlorophenyl undecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
464.128792574 u |
Formula |
C22H31Cl3O4 |
InChI |
InChI=1S/C22H31Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-28-20(26)22(2,3)21(27)29-19-17(24)14-16(23)15-18(19)25/h14-15H,4-13H2,1-3H3 |
InChIKey |
ONTSBJQTDQFUMM-UHFFFAOYSA-N |
Molecular Weight |
465.845 g/mol |
SMILES |
C1=C(C=C(C(=C1Cl)OC(C(C(OCCCCCCCCCCC)=O)(C)C)=O)Cl)Cl |