| SpectraBase Spectrum ID |
2S1dGI3qIcV |
| Name |
Dimethyl 4-benzyl-15-oxo-4,6,17-triazabicyclo[12.3.1]octadeca-1(17),6,11-triene-9,9-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.242021170 u |
| Formula |
C26H33N3O5 |
| InChI |
InChI=1S/C26H33N3O5/c1-33-24(31)26(25(32)34-2)14-7-6-12-21-18-22(27-28-23(21)30)13-17-29(16-9-8-15-26)19-20-10-4-3-5-11-20/h3-11,21H,12-19H2,1-2H3,(H,28,30)/b7-6-,9-8- |
| InChIKey |
MWALBEVZLSWSNX-JPDBVBESSA-N |
| Molecular Weight |
467.566 g/mol |
| SMILES |
C1(C(=O)OC)(C(=O)OC)C\C=C/CC2C(NN=C(C2)CCN(C\C=C/C1)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965041 |
![Dimethyl 4-benzyl-15-oxo-4,6,17-triazabicyclo[12.3.1]octadeca-1(17),6,11-triene-9,9-dicarboxylate](/api/spectrum/2S1dGI3qIcV/structure.png?h=300&w=458 "Dimethyl 4-benzyl-15-oxo-4,6,17-triazabicyclo[12.3.1]octadeca-1(17),6,11-triene-9,9-dicarboxylate")
