| SpectraBase Spectrum ID |
46rqgsNi5VQ |
| Name |
1,8-Diphthalimido-3,6-dithioctane, 3,6-di-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.066107952 u |
| Formula |
C22H20N2O8S2 |
| InChI |
InChI=1S/C22H20N2O8S2/c25-19-15-5-1-2-6-16(15)20(26)23(19)9-11-33(29,30)13-14-34(31,32)12-10-24-21(27)17-7-3-4-8-18(17)22(24)28/h1-8H,9-14H2 |
| InChIKey |
OIOURDOXKQKICY-UHFFFAOYSA-N |
| Molecular Weight |
504.528 g/mol |
| SMILES |
C12=CC=CC=C2C(=O)N(C1=O)CCS(=O)(=O)CCS(=O)(=O)CCN1C(C2=C(C=CC=C2)C1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952019 |
