| SpectraBase Spectrum ID |
8tB0SGFBcZn |
| Name |
Pentaerythritol, tetrakis(dichloroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
575.804038938 u |
| Formula |
C13H12Cl8O8 |
| InChI |
InChI=1S/C13H12Cl8O8/c14-5(15)9(22)26-1-13(2-27-10(23)6(16)17,3-28-11(24)7(18)19)4-29-12(25)8(20)21/h5-8H,1-4H2 |
| InChIKey |
JKEGJNAPZNZANW-UHFFFAOYSA-N |
| Molecular Weight |
579.855 g/mol |
| SMILES |
C(=O)(OCC(COC(=O)C(Cl)Cl)(COC(=O)C(Cl)Cl)COC(=O)C(Cl)Cl)C(Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.760599 |
