SpectraBase Spectrum ID |
5YLGxK0i6oM |
Name |
2-Benzyl-11,11-dimethyl-2-azatricyclo[6.4.0.0(1,6)]dodecane-3,9-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.188529047 u |
Formula |
C20H25NO2 |
InChI |
InChI=1S/C20H25NO2/c1-19(2)11-17(22)16-10-15-8-9-18(23)21(20(15,16)13-19)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15?,16-,20+/m0/s1 |
InChIKey |
BJXRVTJOXIMXLV-XGNAPRINSA-N |
SMILES |
[C@@]123N(C(=O)CCC3C[C@]1(C(=O)CC(C2)(C)C)[H])CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972255 |