| SpectraBase Spectrum ID |
Is2V34bughf |
| Name |
Pimelic acid, di(2,4,6-trichlorophenyl) ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.902325127 u |
| Formula |
C19H14Cl6O4 |
| InChI |
InChI=1S/C19H14Cl6O4/c20-10-6-12(22)18(13(23)7-10)28-16(26)4-2-1-3-5-17(27)29-19-14(24)8-11(21)9-15(19)25/h6-9H,1-5H2 |
| InChIKey |
ROXMETQOVDZGDC-UHFFFAOYSA-N |
| Molecular Weight |
519.035 g/mol |
| SMILES |
C(CCCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)CC(OC=1C(=CC(=CC1Cl)Cl)Cl)=O |
