| SpectraBase Spectrum ID |
L3vOWwKWg5P |
| Name |
2,7-Diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.096440180 u |
| Formula |
C16H12FN3O |
| InChI |
InChI=1S/C16H12FN3O/c17-10-3-1-2-9(6-10)15-12-5-4-11(19)7-14(12)21-16(20)13(15)8-18/h1-7,15H,19-20H2 |
| InChIKey |
ZQDDHNXMFGSCCR-UHFFFAOYSA-N |
| Molecular Weight |
281.290 g/mol |
| SMILES |
C1(F)=CC(=CC=C1)C1C2=C(C=C(C=C2)N)OC(=C1C#N)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922953 |
