| SpectraBase Spectrum ID |
2FgEsnYcJoR |
| Name |
1-Methyl-8-(2,4,5-trimethoxyphenyl)-2,6-diazabicyclo[2.2.2]octane-3,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.137221747 u |
| Formula |
C16H20N2O5 |
| InChI |
InChI=1S/C16H20N2O5/c1-16-7-9(13(14(19)17-16)15(20)18-16)8-5-11(22-3)12(23-4)6-10(8)21-2/h5-6,9,13H,7H2,1-4H3,(H,17,19)(H,18,20)/t9-,13-,16+/m0/s1 |
| InChIKey |
VOFIFANKLPJDHG-UOWOHEGISA-N |
| Molecular Weight |
320.345 g/mol |
| SMILES |
C1(=O)N[C@]2(C)C[C@]([C@]1(C(=O)N2)[H])(C1=CC(OC)=C(OC)C=C1OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968584 |
![1-Methyl-8-(2,4,5-trimethoxyphenyl)-2,6-diazabicyclo[2.2.2]octane-3,5-dione](/api/spectrum/2FgEsnYcJoR/structure.png?h=300&w=458 "1-Methyl-8-(2,4,5-trimethoxyphenyl)-2,6-diazabicyclo[2.2.2]octane-3,5-dione")
