| SpectraBase Spectrum ID |
C1RWcrZlMwC |
| Name |
(+-)-tran-6-(4-methylphenyl)-7-phenylthio-5-thio-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 |
341.090806583 u |
| Formula |
C19H19NOS2 |
| InChI |
InChI=1S/C19H19NOS2/c1-14-8-10-15(11-9-14)19-17(23-16-6-3-2-4-7-16)18(21)20(19)12-5-13-22-19/h2-4,6-11,17H,5,12-13H2,1H3/t17-,19+/m1/s1 |
| InChIKey |
QTQMZRJFYDMIDC-MJGOQNOKSA-N |
| Molecular Weight |
341.487 g/mol |
| SMILES |
[C@]12(N(CCCS2)C([C@]1(SC1=CC=CC=C1)[H])=O)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913 |
![(+-)-tran-6-(4-Methylphenyl)-7-phenylthio-5-thio-6-azabicyclo[4.2.0]octan-7-one](/api/spectrum/C1RWcrZlMwC/structure.png?h=300&w=458 "(+-)-tran-6-(4-Methylphenyl)-7-phenylthio-5-thio-6-azabicyclo[4.2.0]octan-7-one")
