| SpectraBase Spectrum ID |
D5tkSnE4AOe |
| Name |
[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.143056021 u |
| Formula |
C14H19FN2O2 |
| InChI |
InChI=1S/C14H19FN2O2/c1-11(18)19-10-12-3-4-14(13(15)9-12)17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3 |
| InChIKey |
VWBFPDIYMUODHO-UHFFFAOYSA-N |
| Molecular Weight |
266.316 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)COC(C)=O)N1CCN(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814549 |
![[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl acetate](/api/spectrum/D5tkSnE4AOe/structure.png?h=300&w=458 "[3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl acetate")
