| SpectraBase Spectrum ID |
DIMvvKQJvW2 |
| Name |
2-Nitro-2-(((2,2,3,3,3-pentafluoropropanoyl)oxy)methyl)propane-1,3-diyl bis(2,2,3,3,3-pentafluoropropanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.985388594 u |
| Formula |
C13H6F15NO8 |
| InChI |
InChI=1S/C13H6F15NO8/c14-8(15,11(20,21)22)4(30)35-1-7(29(33)34,2-36-5(31)9(16,17)12(23,24)25)3-37-6(32)10(18,19)13(26,27)28/h1-3H2 |
| InChIKey |
HXJYPUOZNKWOOS-UHFFFAOYSA-N |
| Molecular Weight |
589.166 g/mol |
| SMILES |
C(COC(C(C(F)(F)F)(F)F)=O)(COC(C(F)(C(F)(F)F)F)=O)(COC(C(F)(F)C(F)(F)F)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869409 |
