| SpectraBase Spectrum ID |
2WFAR3LKtnJ |
| Name |
6,6-Dichloro-2,2-dimethyl-3-endo-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.997211854 u |
| Formula |
C14H15Cl2NOS2 |
| InChI |
InChI=1S/C14H15Cl2NOS2/c1-12(2)11(19-3)20-14(9-7-5-4-6-8-9)13(15,16)10(18)17(12)14/h4-8,11H,1-3H3 |
| InChIKey |
UQBGDAPBWYKXIC-UHFFFAOYSA-N |
| Molecular Weight |
348.306 g/mol |
| SMILES |
C1(C(C2(N1C(C)(C)C(S2)SC)C1=CC=CC=C1)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85646 |
![6,6-Dichloro-2,2-dimethyl-3-endo-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one](/api/spectrum/2WFAR3LKtnJ/structure.png?h=300&w=458 "6,6-Dichloro-2,2-dimethyl-3-endo-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one")
