| SpectraBase Spectrum ID |
3aTaa09aTJI |
| Name |
2,3-Dibromo-5-(trifluoromethyl)-1,4-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.829539759 u |
| Formula |
C7HBr2F3O2 |
| InChI |
InChI=1S/C7HBr2F3O2/c8-4-3(13)1-2(7(10,11)12)6(14)5(4)9/h1H |
| InChIKey |
KWXCCEMBDNXYMB-UHFFFAOYSA-N |
| Molecular Weight |
333.886 g/mol |
| SMILES |
C=1(C(C(Br)=C(C(C1)=O)Br)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927147 |
