| SpectraBase Spectrum ID |
GDtSg6rOPsr |
| Name |
4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.089246800 u |
| Formula |
C16H14FN3S |
| InChI |
InChI=1S/C16H14FN3S/c1-20-7-6-14-13(9-20)15(12(8-18)16(21)19-14)10-2-4-11(17)5-3-10/h2-5H,6-7,9H2,1H3,(H,19,21) |
| InChIKey |
KZBPZFRZMCHSLA-UHFFFAOYSA-N |
| Molecular Weight |
299.367 g/mol |
| SMILES |
C1=2C(=C(C#N)C(NC2CCN(C1)C)=S)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886327 |
