SpectraBase Spectrum ID |
Ks29P1l9Ycw |
Name |
Endo-1-chloro-8-phenyl-8,10-diazatricyclo[5.2.2.0(2,6)]undecane-9,11-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.082205429 u |
Formula |
C15H15ClN2O2 |
InChI |
InChI=1S/C15H15ClN2O2/c16-15-11-8-4-7-10(11)12(13(19)17-15)18(14(15)20)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2,(H,17,19)/t10?,11?,12-,15-/m0/s1 |
InChIKey |
ZHYYBKQKIYEQGI-UFDFEIGVSA-N |
SMILES |
[C@@]12(C3CCCC3[C@](N(C1=O)C=1C=CC=CC1)(C(N2)=O)[H])Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928661 |