| SpectraBase Spectrum ID |
Dpa4YTSR78O |
| Name |
Ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.127405956 u |
| Formula |
C13H17FN2O2 |
| InChI |
InChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3 |
| InChIKey |
APMYLJWDJDQZDW-UHFFFAOYSA-N |
| Molecular Weight |
252.289 g/mol |
| SMILES |
C(N1CCN(CC1)C=1C=CC(=CC1)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800592 |
