| SpectraBase Spectrum ID |
LepxrlV2SDR |
| Name |
Benzenamine, 4,5-difluoro-2-(1-pyrenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.101605749 u |
| Formula |
C22H13F2N |
| InChI |
InChI=1S/C22H13F2N/c23-18-10-17(20(25)11-19(18)24)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)22(14)21(12)13/h1-11H,25H2 |
| InChIKey |
LXAFERAHCAYVCC-UHFFFAOYSA-N |
| Molecular Weight |
329.350 g/mol |
| SMILES |
C12=C(C=3C(=CC(=C(C3)F)F)N)C=CC=3C1=C1C(C=CC=C1C=C2)=CC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92102 |
