| SpectraBase Spectrum ID |
3E8zerfLy90 |
| Name |
Sebacic acid, ethyl 2,4,6-trichlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.081842381 u |
| Formula |
C19H25Cl3O4 |
| InChI |
InChI=1S/C19H25Cl3O4/c1-2-25-18(23)9-7-5-3-4-6-8-10-19(24)26-13-15-16(21)11-14(20)12-17(15)22/h11-12H,2-10,13H2,1H3 |
| InChIKey |
VFFAVFXSZGQUSH-UHFFFAOYSA-N |
| Molecular Weight |
423.764 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90032 |
