SpectraBase Spectrum ID |
KL76Hxt4Twh |
Name |
2-Nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.142975834 u |
Formula |
C13H18N4O2 |
InChI |
InChI=1S/C13H18N4O2/c1-2-5-15-12-10-11(3-4-13(12)17(18)19)16-8-6-14-7-9-16/h2-4,10,14-15H,1,5-9H2 |
InChIKey |
AXBRCMLWHVVQQZ-UHFFFAOYSA-N |
SMILES |
C=1(NCC=C)C=C(C=CC1N(=O)=O)N1CCNCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953466 |