| SpectraBase Spectrum ID |
26bpGtx56hZ |
| Name |
Pentedrone, N-chlorodifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.083762783 u |
| Formula |
C14H16ClF2NO2 |
| InChI |
InChI=1S/C14H16ClF2NO2/c1-3-7-11(18(2)13(20)14(15,16)17)12(19)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7H2,1-2H3 |
| InChIKey |
DQKMTBCRZASTBO-UHFFFAOYSA-N |
| Molecular Weight |
303.737 g/mol |
| SMILES |
C1(=CC=CC=C1)C(C(N(C)C(C(F)(F)Cl)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956661 |
