| SpectraBase Spectrum ID |
GTvUGWyioX9 |
| Name |
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-3-buten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.177964364 u |
| Formula |
C18H23NO |
| InChI |
InChI=1S/C18H23NO/c1-13(15-6-4-3-5-7-15)18(20)12-14-10-16-8-9-17(11-14)19(16)2/h3-7,14,16-17H,1,8-12H2,2H3/t14?,16-,17+ |
| InChIKey |
BVNRMCRICWQYPJ-ZXFUBFMLSA-N |
| SMILES |
[C@@]12(N([C@@](CC(C2)CC(C(C2=CC=CC=C2)=C)=O)(CC1)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960303 |
![1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-3-buten-2-one](/api/spectrum/GTvUGWyioX9/structure.png?h=300&w=458 "1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-3-buten-2-one")
