| SpectraBase Spectrum ID |
G7AhCTjHrMY |
| Name |
N-Isopropyl-4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinecarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.140924974 u |
| Formula |
C15H19F3N4O3 |
| InChI |
InChI=1S/C15H19F3N4O3/c1-10(2)19-14(23)21-7-5-20(6-8-21)12-4-3-11(15(16,17)18)9-13(12)22(24)25/h3-4,9-10H,5-8H2,1-2H3,(H,19,23) |
| InChIKey |
BDWBGWKJKBONAC-UHFFFAOYSA-N |
| Molecular Weight |
360.337 g/mol |
| SMILES |
N(C(N1CCN(C=2C(=CC(=CC2)C(F)(F)F)N(=O)=O)CC1)=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.857451 |
