SpectraBase Spectrum ID |
3h8v2lkOBQ3 |
Name |
1,2-Ethanediamine, N1-ethyl-N2-(4-nitrophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.116426733 u |
Formula |
C10H15N3O2 |
InChI |
InChI=1S/C10H15N3O2/c1-2-11-7-8-12-9-3-5-10(6-4-9)13(14)15/h3-6,11-12H,2,7-8H2,1H3 |
InChIKey |
CFDAXWLTQQMKRJ-UHFFFAOYSA-N |
Molecular Weight |
209.249 g/mol |
SMILES |
C1(N(=O)=O)=CC=C(C=C1)NCCNCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95591 |