| SpectraBase Spectrum ID |
LbT3a5eE82E |
| Name |
4-[2',2'-Diamino-1'-(ethoxycarbonyl)ethenyl]-6-nitrochroman-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.096085209 u |
| Formula |
C14H15N3O6 |
| InChI |
InChI=1S/C14H15N3O6/c1-2-22-14(19)12(13(15)16)9-6-11(18)23-10-4-3-7(17(20)21)5-8(9)10/h3-5,9H,2,6,15-16H2,1H3 |
| InChIKey |
QLRJPZPNOWUUMB-UHFFFAOYSA-N |
| Molecular Weight |
321.289 g/mol |
| SMILES |
C(C1C2=C(C=CC(N(=O)=O)=C2)OC(C1)=O)(=C(N)N)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803878 |
![4-[2',2'-Diamino-1'-(ethoxycarbonyl)ethenyl]-6-nitrochroman-2-one](/api/spectrum/LbT3a5eE82E/structure.png?h=300&w=458 "4-[2',2'-Diamino-1'-(ethoxycarbonyl)ethenyl]-6-nitrochroman-2-one")
