| SpectraBase Compound ID | FEvENUY5sS4 |
|---|---|
| InChI | InChI=1S/C20H18N2O4S2/c23-19-15-5-3-13-1-2-14-4-6-16(22-18(14)17(13)21-15)20(24)26-8-10-28-12-11-27-9-7-25-19/h1-6H,7-12H2 |
| InChIKey | XKWALMOJRFMWBU-UHFFFAOYSA-N |
| Mol Weight | 414.49 g/mol |
| Molecular Formula | C20H18N2O4S2 |
| Exact Mass | 414.070799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L3NPUKO08Bi |
|---|---|
| Name | 2,20:15,17-Dietheno-4,13,7,10,1,16-benzodioxadithiadiazacyclooctadec ine-3,14-dione, 5,6,8,9,11,12-hexahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.070799412 u |
| Formula | C20H18N2O4S2 |
| InChI | InChI=1S/C20H18N2O4S2/c23-19-15-5-3-13-1-2-14-4-6-16(22-18(14)17(13)21-15)20(24)26-8-10-28-12-11-27-9-7-25-19/h1-6H,7-12H2 |
| InChIKey | XKWALMOJRFMWBU-UHFFFAOYSA-N |
| Molecular Weight | 414.494 g/mol |
| SMILES | C12=NC=3C(OCCSCCSCCOC(C=4N=C2C(C=CC1=CC3)=CC4)=O)=O |