SpectraBase Spectrum ID |
2bmSNTSRnjC |
Name |
Sebacic acid, hexyl 2,4,6-trichlorophenyl 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/c1-2-3-4-11-14-28-20(26)12-9-7-5-6-8-10-13-21(27)29-22-18(24)15-17(23)16-19(22)25/h15-16H,2-14H2,1H3 |
InChIKey |
YPSSBMYZNAKQPQ-UHFFFAOYSA-N |
Molecular Weight |
465.845 g/mol |
SMILES |
C(C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)CCCCCCCC(OCCCCCC)=O |