| SpectraBase Spectrum ID |
4aAdGKGalM |
| Name |
{{[2-(3,4,5-Tribromopyrazol-1-yl)ethyl]amino}methylene}malonic acid, diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.869095003 u |
| Formula |
C13H16Br3N3O4 |
| InChI |
InChI=1S/C13H16Br3N3O4/c1-3-22-12(20)8(13(21)23-4-2)7-17-5-6-19-11(16)9(14)10(15)18-19/h7,17H,3-6H2,1-2H3 |
| InChIKey |
LFNFHTZVEMMXMC-UHFFFAOYSA-N |
| Molecular Weight |
518.000 g/mol |
| SMILES |
N(C=C(C(OCC)=O)C(=O)OCC)CCN1C(=C(C(=N1)Br)Br)Br |
![{{[2-(3,4,5-Tribromopyrazol-1-yl)ethyl]amino}methylene}malonic acid, diethyl ester](/api/spectrum/4aAdGKGalM/structure.png?h=300&w=458 "{{[2-(3,4,5-Tribromopyrazol-1-yl)ethyl]amino}methylene}malonic acid, diethyl ester")
