| SpectraBase Spectrum ID |
LPJwjFyMQ8E |
| Name |
3-(3,4-Dichlorobenzyl)-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.988755170 u |
| Formula |
C13H11Cl2NO2S |
| InChI |
InChI=1S/C13H11Cl2NO2S/c14-8-2-1-7(5-9(8)15)6-16-12(17)10-3-4-11(19-10)13(16)18/h1-2,5,10-11H,3-4,6H2 |
| InChIKey |
VOQWISYOZKUWGI-UHFFFAOYSA-N |
| Molecular Weight |
316.202 g/mol |
| SMILES |
C1=C(C=C(C(=C1)Cl)Cl)CN1C(C2CCC(C1=O)S2)=O |
| Spectrum/Structure Validation Score (Raman) |
0.705264 |
![3-(3,4-Dichlorobenzyl)-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione](/api/spectrum/LPJwjFyMQ8E/structure.png?h=300&w=458 "3-(3,4-Dichlorobenzyl)-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione")
