| SpectraBase Spectrum ID |
2UCjQiR29kJ |
| Name |
4-Benzyl-2,4-dimethyl-6-azatricyclo[6.4.0.0(2,6)]dodeca-1,8,10-trien-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.162314299 u |
| Formula |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c1-19(12-15-8-4-3-5-9-15)13-20(2)17-11-7-6-10-16(17)18(22)21(20)14-19/h3-11H,12-14H2,1-2H3/t19-,20+/m1/s1 |
| InChIKey |
YKGTZGMPOUKQRJ-UXHICEINSA-N |
| SMILES |
[C@@]12(N(C(C3=CC=CC=C23)=O)C[C@@](C1)(CC1=CC=CC=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87352 |
![4-Benzyl-2,4-dimethyl-6-azatricyclo[6.4.0.0(2,6)]dodeca-1,8,10-trien-7-one](/api/spectrum/2UCjQiR29kJ/structure.png?h=300&w=458 "4-Benzyl-2,4-dimethyl-6-azatricyclo[6.4.0.0(2,6)]dodeca-1,8,10-trien-7-one")
