| SpectraBase Spectrum ID |
90xLgho58MO |
| Name |
1,3-Benzenediol, o-chloroacetyl-o'-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.984283510 u |
| Formula |
C12H6ClF7O4 |
| InChI |
InChI=1S/C12H6ClF7O4/c13-5-8(21)23-6-2-1-3-7(4-6)24-9(22)10(14,15)11(16,17)12(18,19)20/h1-4H,5H2 |
| InChIKey |
VDWJDPDCVPLDSB-UHFFFAOYSA-N |
| Molecular Weight |
382.618 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(CCl)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978702 |
