| SpectraBase Spectrum ID |
5Sty6UocTDC |
| Name |
2-Nitro-2-((2,2,2-trifluoroacetoxy)methyl)propane-1,3-diyl bis(2,2,2-trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.994969616 u |
| Formula |
C10H6F9NO8 |
| InChI |
InChI=1S/C10H6F9NO8/c11-8(12,13)4(21)26-1-7(20(24)25,2-27-5(22)9(14,15)16)3-28-6(23)10(17,18)19/h1-3H2 |
| InChIKey |
OUIUIJIZQOVCKL-UHFFFAOYSA-N |
| Molecular Weight |
439.143 g/mol |
| SMILES |
C(COC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903072 |
