| SpectraBase Spectrum ID |
7wiacxU6rYl |
| Name |
2,3-Dichloropropane-1-heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.955481940 u |
| Formula |
C7H5Cl2F7O2 |
| InChI |
InChI=1S/C7H5Cl2F7O2/c8-1-3(9)2-18-4(17)5(10,11)6(12,13)7(14,15)16/h3H,1-2H2 |
| InChIKey |
ZGQHOYDDKQCAMJ-UHFFFAOYSA-N |
| Molecular Weight |
325.010 g/mol |
| SMILES |
C(C(C(OCC(Cl)CCl)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953803 |
