| SpectraBase Spectrum ID |
EVvGu77oixb |
| Name |
4-Fluoro-5-(4-methyl-piperazin-1-yl)-benzene-1,2-diamine, 3ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.175418777 u |
| Formula |
C17H23FN4O3 |
| InChI |
InChI=1S/C17H23FN4O3/c1-11(23)19-15-10-16(21-7-5-20(4)6-8-21)14(18)9-17(15)22(12(2)24)13(3)25/h9-10H,5-8H2,1-4H3,(H,19,23) |
| InChIKey |
LZZWHRAHOSKCTP-UHFFFAOYSA-N |
| Molecular Weight |
350.394 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)N1CCN(CC1)C)F)N(C(C)=O)C(C)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95238 |
