| SpectraBase Spectrum ID |
snKzORMqKK |
| Name |
2-Amino-7-(dimethylamino)-4-(4-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 |
309.127740309 u |
| Formula |
C18H16FN3O |
| InChI |
InChI=1S/C18H16FN3O/c1-22(2)13-7-8-14-16(9-13)23-18(21)15(10-20)17(14)11-3-5-12(19)6-4-11/h3-9,17H,21H2,1-2H3 |
| InChIKey |
YSQMMZBSBUQRJZ-UHFFFAOYSA-N |
| Molecular Weight |
309.344 g/mol |
| SMILES |
C12=C(C=CC(=C2)N(C)C)C(C2=CC=C(C=C2)F)C(=C(O1)N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90446 |
