| SpectraBase Spectrum ID |
BwzoHJg22Kv |
| Name |
4-Nitrobenzene-1,3-diol, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.986455793 u |
| Formula |
C10H3F6NO6 |
| InChI |
InChI=1S/C10H3F6NO6/c11-9(12,13)7(18)22-4-1-2-5(17(20)21)6(3-4)23-8(19)10(14,15)16/h1-3H |
| InChIKey |
DTOOKJALJJSNHU-UHFFFAOYSA-N |
| Molecular Weight |
347.125 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C(C=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970884 |
