| SpectraBase Spectrum ID |
4saltB2KfWJ |
| Name |
Glutethimide, chlorodifluoroacetyl derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.063027338 u |
| Formula |
C15H14ClF2NO3 |
| InChI |
InChI=1S/C15H14ClF2NO3/c1-2-14(10-6-4-3-5-7-10)9-8-11(20)19(12(14)21)13(22)15(16,17)18/h3-7H,2,8-9H2,1H3 |
| InChIKey |
OMDZRRMLNJMZMJ-UHFFFAOYSA-N |
| Molecular Weight |
329.731 g/mol |
| SMILES |
C1(C2(C(N(C(CC2)=O)C(C(F)(F)Cl)=O)=O)CC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864007 |
