| SpectraBase Spectrum ID |
Gc8ZyCXrBnp |
| Name |
(+-)-tran-6-phenyl-7-phenylthio-6-azabicyclo[4.2.0]octan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.075156518 u |
| Formula |
C18H17NOS2 |
| InChI |
InChI=1S/C18H17NOS2/c20-17-16(22-15-10-5-2-6-11-15)18(14-8-3-1-4-9-14)19(17)12-7-13-21-18/h1-6,8-11,16H,7,12-13H2/t16-,18+/m1/s1 |
| InChIKey |
LQXNCYPDQKHHBG-AEFFLSMTSA-N |
| Molecular Weight |
327.460 g/mol |
| SMILES |
[C@]12(N(CCCS2)C([C@]1(SC=1C=CC=CC1)[H])=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902713 |
![(+-)-tran-6-Phenyl-7-phenylthio-6-azabicyclo[4.2.0]octan-7-one](/api/spectrum/Gc8ZyCXrBnp/structure.png?h=300&w=458 "(+-)-tran-6-Phenyl-7-phenylthio-6-azabicyclo[4.2.0]octan-7-one")
