| SpectraBase Spectrum ID |
AeDLW1eoEzI |
| Name |
4-Ethyl 2,2-dimethyl 5-ethoxy-3-(3-nitrophenyl)furan-2,2,4(3H)-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.116545870 u |
| Formula |
C19H21NO10 |
| InChI |
InChI=1S/C19H21NO10/c1-5-28-15(21)13-14(11-8-7-9-12(10-11)20(24)25)19(17(22)26-3,18(23)27-4)30-16(13)29-6-2/h7-10,14H,5-6H2,1-4H3 |
| InChIKey |
IQOPFRNSDZOUEE-UHFFFAOYSA-N |
| Molecular Weight |
423.374 g/mol |
| SMILES |
C1(OC(=C(C1C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC)OCC)(C(=O)OC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964941 |
