| SpectraBase Spectrum ID |
C9Tg9vfsXun |
| Name |
Trichloroacetic acid, 2,4,6-tribromophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.667051402 u |
| Formula |
C8H2Br3Cl3O2 |
| InChI |
InChI=1S/C8H2Br3Cl3O2/c9-3-1-4(10)6(5(11)2-3)16-7(15)8(12,13)14/h1-2H |
| InChIKey |
NYOGCKNTCOPANW-UHFFFAOYSA-N |
| Molecular Weight |
476.173 g/mol |
| SMILES |
C(Cl)(Cl)(Cl)C(OC=1C(=CC(=CC1Br)Br)Br)=O |
| Spectrum/Structure Validation Score (Raman) |
0.8594 |
