| SpectraBase Spectrum ID |
AJCN5cfPDbH |
| Name |
1-(2-Nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylmethyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.205576091 u |
| Formula |
C21H26N4O2 |
| InChI |
InChI=1S/C21H26N4O2/c26-25(27)20-9-8-19(23-10-4-5-11-23)16-21(20)24-14-12-22(13-15-24)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2 |
| InChIKey |
QIBVRMSHSNEASG-UHFFFAOYSA-N |
| Molecular Weight |
366.465 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C(C=C1)N1CCCC1)N1CCN(CC1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850264 |
