| SpectraBase Spectrum ID |
JTHR4n9B1Os |
| Name |
1-Methyl-3,6-diazahomoadamantan-9-spiro-5-imidazolidin-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.142975834 u |
| Formula |
C12H18N4O2 |
| InChI |
InChI=1S/C12H18N4O2/c1-11-6-15-2-3-16(7-11)5-8(4-15)12(11)9(17)13-10(18)14-12/h8H,2-7H2,1H3,(H2,13,14,17,18)/t8-,11+,12? |
| InChIKey |
CIFOGPVRECFOPR-YOFYBGABSA-N |
| Molecular Weight |
250.302 g/mol |
| SMILES |
C1N2CCN3C[C@]1(C1([C@@](C3)(C2)[H])C(NC(N1)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828269 |
