| SpectraBase Spectrum ID |
3R7fIdDixem |
| Name |
Dimethyl cis-1-phthalimidoaziridine-2,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.069536108 u |
| Formula |
C14H12N2O6 |
| InChI |
InChI=1S/C14H12N2O6/c1-21-13(19)9-10(14(20)22-2)15(9)16-11(17)7-5-3-4-6-8(7)12(16)18/h3-6,9-10H,1-2H3/t9-,10+,15? |
| InChIKey |
XLVJVRIIBPDGBK-WYPFBEBGSA-N |
| Molecular Weight |
304.258 g/mol |
| SMILES |
C1(N(N2[C@@](C(=O)OC)([C@]2(C(=O)OC)[H])[H])C(C2=CC=CC=C12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947103 |
