| SpectraBase Spectrum ID |
3L2mQ6Ccu9v |
| Name |
2-Amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.098189846 u |
| Formula |
C18H16ClN3O |
| InChI |
InChI=1S/C18H16ClN3O/c1-22(2)13-6-7-14-16(9-13)23-18(21)15(10-20)17(14)11-4-3-5-12(19)8-11/h3-9,17H,21H2,1-2H3 |
| InChIKey |
LYLHRCBYRAGXGM-UHFFFAOYSA-N |
| Molecular Weight |
325.799 g/mol |
| SMILES |
C1=C2C(=CC=C1N(C)C)C(C(=C(O2)N)C#N)C=1C=CC=C(Cl)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917707 |
