| SpectraBase Spectrum ID |
5ApqjfjCKbh |
| Name |
Pyperazine, 1-[2-fluoro-4-(3,4-dimethylbenzoyl)phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.163791466 u |
| Formula |
C19H21FN2O |
| InChI |
InChI=1S/C19H21FN2O/c1-13-3-4-15(11-14(13)2)19(23)16-5-6-18(17(20)12-16)22-9-7-21-8-10-22/h3-6,11-12,21H,7-10H2,1-2H3 |
| InChIKey |
DCQFFNXMZZFJGO-UHFFFAOYSA-N |
| Molecular Weight |
312.388 g/mol |
| SMILES |
C1(N2CCNCC2)=C(C=C(C(C2=CC(=C(C)C=C2)C)=O)C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834884 |
![Pyperazine, 1-[2-fluoro-4-(3,4-dimethylbenzoyl)phenyl]-](/api/spectrum/5ApqjfjCKbh/structure.png?h=300&w=458 "Pyperazine, 1-[2-fluoro-4-(3,4-dimethylbenzoyl)phenyl]-")
