| SpectraBase Spectrum ID |
AS8eXOIb2aL |
| Name |
2-Benzyl-12,12-dimethyl-2-azatricyclo[7.4.0.0(1,7)]tridecane-3,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.204179111 u |
| Formula |
C21H27NO2 |
| InChI |
InChI=1S/C21H27NO2/c1-20(2)12-18(23)17-11-16-9-6-10-19(24)22(21(16,17)14-20)13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3 |
| InChIKey |
GALLOOKAQKYTSD-UHFFFAOYSA-N |
| Molecular Weight |
325.452 g/mol |
| SMILES |
C123N(C(CCCC3CC1C(CC(C2)(C)C)=O)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953383 |
![2-Benzyl-12,12-dimethyl-2-azatricyclo[7.4.0.0(1,7)]tridecane-3,10-dione](/api/spectrum/AS8eXOIb2aL/structure.png?h=300&w=458 "2-Benzyl-12,12-dimethyl-2-azatricyclo[7.4.0.0(1,7)]tridecane-3,10-dione")
