| SpectraBase Spectrum ID |
93gNfNfgVV5 |
| Name |
1-[2-[6-(1,3-Dithiolan-2-yl)-1,3-benzodioxol-5-yl]ethyl]-2,5-pyrrolidinedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.059900375 u |
| Formula |
C16H17NO4S2 |
| InChI |
InChI=1S/C16H17NO4S2/c18-14-1-2-15(19)17(14)4-3-10-7-12-13(21-9-20-12)8-11(10)16-22-5-6-23-16/h7-8,16H,1-6,9H2 |
| InChIKey |
TYNGEYKMQPOVHH-UHFFFAOYSA-N |
| Molecular Weight |
351.435 g/mol |
| SMILES |
C1(N(C(CC1)=O)CCC1=C(C=C2C(=C1)OCO2)C1SCCS1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913333 |
![1-[2-[6-(1,3-Dithiolan-2-yl)-1,3-benzodioxol-5-yl]ethyl]-2,5-pyrrolidinedione](/api/spectrum/93gNfNfgVV5/structure.png?h=300&w=458 "1-[2-[6-(1,3-Dithiolan-2-yl)-1,3-benzodioxol-5-yl]ethyl]-2,5-pyrrolidinedione")
