| SpectraBase Spectrum ID |
HOhe4kGt7mH |
| Name |
2-(2-Nitro-1-phenyl-ethyl)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.121237330 u |
| Formula |
C15H19NO6 |
| InChI |
InChI=1S/C15H19NO6/c1-3-21-14(17)13(15(18)22-4-2)12(10-16(19)20)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3 |
| InChIKey |
VQKSJEVJSPWVIE-UHFFFAOYSA-N |
| Molecular Weight |
309.318 g/mol |
| SMILES |
C(C(CN(=O)=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97175 |
