| SpectraBase Spectrum ID |
3CHqU3oTHlI |
| Name |
Diethyl (o-nitrophenacyl)acetamidomalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.121965604 u |
| Formula |
C17H20N2O8 |
| InChI |
InChI=1S/C17H20N2O8/c1-3-26-16(22)15(17(23)27-4-2)18-14(21)10-9-13(20)11-7-5-6-8-12(11)19(24)25/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,21) |
| InChIKey |
QYUVGMZNSHZYMN-UHFFFAOYSA-N |
| Molecular Weight |
380.353 g/mol |
| SMILES |
C=1(N(=O)=O)C(C(=O)CCC(NC(C(=O)OCC)C(=O)OCC)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955267 |
