| SpectraBase Spectrum ID |
7EPaCLzvxyT |
| Name |
2-Butene-1,4-diol, o-chlorodifluoroacetate-o'-pentafluoropropionate- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.984283510 u |
| Formula |
C9H6ClF7O4 |
| InChI |
InChI=1S/C9H6ClF7O4/c10-8(13,14)6(19)21-4-2-1-3-20-5(18)7(11,12)9(15,16)17/h1-2H,3-4H2/b2-1+ |
| InChIKey |
RCVPIFMRZNHUFO-OWOJBTEDSA-N |
| Molecular Weight |
346.585 g/mol |
| SMILES |
C(OC(C(F)(F)Cl)=O)\C=C\COC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982526 |
