| SpectraBase Spectrum ID |
LM1Ml0BkeNK |
| Name |
1,3-Propanediol, bis(chlorodifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.957926721 u |
| Formula |
C7H6Cl2F4O4 |
| InChI |
InChI=1S/C7H6Cl2F4O4/c8-6(10,11)4(14)16-2-1-3-17-5(15)7(9,12)13/h1-3H2 |
| InChIKey |
CJRWBYULDAAFPD-UHFFFAOYSA-N |
| Molecular Weight |
301.021 g/mol |
| SMILES |
C(OC(C(F)(F)Cl)=O)CCOC(C(F)(F)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889259 |
