| SpectraBase Spectrum ID |
37rUN048wab |
| Name |
Formic acid, (3,5-dinitrophenyl)amino-, [3-(ethoxycarbonyl)prop-2-yl] ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.085914447 u |
| Formula |
C13H15N3O8 |
| InChI |
InChI=1S/C13H15N3O8/c1-3-23-12(17)4-8(2)24-13(18)14-9-5-10(15(19)20)7-11(6-9)16(21)22/h5-8H,3-4H2,1-2H3,(H,14,18) |
| InChIKey |
DAGPMZHTIMCPME-UHFFFAOYSA-N |
| Molecular Weight |
341.276 g/mol |
| SMILES |
C1(N(=O)=O)=CC(NC(=O)OC(CC(=O)OCC)C)=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979907 |
![Formic acid, (3,5-dinitrophenyl)amino-, [3-(ethoxycarbonyl)prop-2-yl] ester](/api/spectrum/37rUN048wab/structure.png?h=300&w=458 "Formic acid, (3,5-dinitrophenyl)amino-, [3-(ethoxycarbonyl)prop-2-yl] ester")
