| SpectraBase Spectrum ID |
bgntZqUAf2 |
| Name |
3-(4-Nitrophenyl)aziridine-2,2-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.069536108 u |
| Formula |
C12H12N2O6 |
| InChI |
InChI=1S/C12H12N2O6/c1-19-10(15)12(11(16)20-2)9(13-12)7-3-5-8(6-4-7)14(17)18/h3-6,9,13H,1-2H3 |
| InChIKey |
SXPIQPUSBYSNJN-UHFFFAOYSA-N |
| SMILES |
C1(NC1C1=CC=C(N(=O)=O)C=C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863781 |
