| SpectraBase Spectrum ID |
A5EOpdtxk9T |
| Name |
(R)-N-(4-(4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-2-nitrophenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.101504943 u |
| Formula |
C13H14N4O4 |
| InChI |
InChI=1S/C13H14N4O4/c1-7-5-12(19)15-16-13(7)9-3-4-10(14-8(2)18)11(6-9)17(20)21/h3-4,6-7H,5H2,1-2H3,(H,14,18)(H,15,19)/t7-/m1/s1 |
| InChIKey |
LLLDRLNHTMUACB-SSDOTTSWSA-N |
| Molecular Weight |
290.279 g/mol |
| SMILES |
C(C)(=O)NC1=C(C=C(C=C1)C=1[C@@](CC(NN1)=O)(C)[H])N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945553 |
