| SpectraBase Spectrum ID |
K3H5YnOBJex |
| Name |
[6-((E)-Buta-1,3-dienyl)-3,3,5-trimethyl-1-aza-bicyclo[3.1.0]hex-6-yl]-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.177964364 u |
| Formula |
C19H23NO |
| InChI |
InChI=1S/C19H23NO/c1-5-6-12-19(16(21)15-10-8-7-9-11-15)18(4)13-17(2,3)14-20(18)19/h5-12H,1,13-14H2,2-4H3/b12-6+ |
| InChIKey |
JDYDQTRRLJUOAL-WUXMJOGZSA-N |
| SMILES |
C1(N2CC(CC12C)(C)C)(C(=O)C=1C=CC=CC1)\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843517 |
![[6-((E)-Buta-1,3-dienyl)-3,3,5-trimethyl-1-aza-bicyclo[3.1.0]hex-6-yl]-phenyl-methanone](/api/spectrum/K3H5YnOBJex/structure.png?h=300&w=458 "[6-((E)-Buta-1,3-dienyl)-3,3,5-trimethyl-1-aza-bicyclo[3.1.0]hex-6-yl]-phenyl-methanone")
