| SpectraBase Spectrum ID |
GIQh1NVEKGX |
| Name |
2-(4-Methylsulfinylbutyl)isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.077264518 u |
| Formula |
C13H15NO3S |
| InChI |
InChI=1S/C13H15NO3S/c1-18(17)9-5-4-8-14-12(15)10-6-2-3-7-11(10)13(14)16/h2-3,6-7H,4-5,8-9H2,1H3 |
| InChIKey |
WQSMYMXLTSMQNA-UHFFFAOYSA-N |
| Molecular Weight |
265.327 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCCCS(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954204 |
