SpectraBase Spectrum ID |
3h0s1QLanT6 |
Name |
1-[3-Ethyl-4-nitrophenyl]-3-[2-pyridyl]urea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.106590324 u |
Formula |
C14H14N4O3 |
InChI |
InChI=1S/C14H14N4O3/c1-2-10-9-11(6-7-12(10)18(20)21)16-14(19)17-13-5-3-4-8-15-13/h3-9H,2H2,1H3,(H2,15,16,17,19) |
InChIKey |
QPIDVCWOUKLACI-UHFFFAOYSA-N |
SMILES |
C1(N(=O)=O)=C(CC)C=C(C=C1)NC(=O)NC1=CC=CC=N1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936897 |