| SpectraBase Spectrum ID |
FM7ILXLXhTk |
| Name |
Diethylmalonic acid, di(2-nitrophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.106315540 u |
| Formula |
C19H18N2O8 |
| InChI |
InChI=1S/C19H18N2O8/c1-3-19(4-2,17(22)28-15-11-7-5-9-13(15)20(24)25)18(23)29-16-12-8-6-10-14(16)21(26)27/h5-12H,3-4H2,1-2H3 |
| InChIKey |
XLYAOZWMHOFPKC-UHFFFAOYSA-N |
| Molecular Weight |
402.359 g/mol |
| SMILES |
CCC(C(OC1=CC=CC=C1N(=O)=O)=O)(C(OC1=C(C=CC=C1)N(=O)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984146 |
