| SpectraBase Spectrum ID |
AaFVK7qOje5 |
| Name |
Trithioorthoformic acid, tris(p-chlorophenyl)ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.924497041 u |
| Formula |
C19H13Cl3S3 |
| InChI |
InChI=1S/C19H13Cl3S3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12,19H |
| InChIKey |
FIZGLJYPVJOGBN-UHFFFAOYSA-N |
| Molecular Weight |
443.852 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)SC(SC=1C=CC(=CC1)Cl)SC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.983767 |
