| SpectraBase Spectrum ID |
EAW5LaQmHFi |
| Name |
Diclofensine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.068719570 u |
| Formula |
C17H17Cl2NO |
| InChI |
InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 |
| InChIKey |
ZJDCGVDEEHWEIG-UHFFFAOYSA-N |
| Molecular Weight |
322.235 g/mol |
| SMILES |
CN1CC(C=2C(C1)=CC(OC)=CC2)C1=CC(Cl)=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84671 |
