![4-[p-(Benzyloxy)benzyl]-1,2,4-dithiazolidine-3,5-dione](/api/spectrum/BI6p3iuwpbb/structure.png?h=300&w=458 "4-[p-(Benzyloxy)benzyl]-1,2,4-dithiazolidine-3,5-dione")
| SpectraBase Compound ID | 1Jej2bgeNKe |
|---|---|
| InChI | InChI=1S/C16H13NO3S2/c18-15-17(16(19)22-21-15)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | FOMWMOKQRASIPH-UHFFFAOYSA-N |
| Mol Weight | 331.4 g/mol |
| Molecular Formula | C16H13NO3S2 |
| Exact Mass | 331.033686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BI6p3iuwpbb |
|---|---|
| Name | 4-[p-(Benzyloxy)benzyl]-1,2,4-dithiazolidine-3,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.033685628 u |
| Formula | C16H13NO3S2 |
| InChI | InChI=1S/C16H13NO3S2/c18-15-17(16(19)22-21-15)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9H,10-11H2 |
| InChIKey | FOMWMOKQRASIPH-UHFFFAOYSA-N |
| Molecular Weight | 331.404 g/mol |
| SMILES | C1(N(C(SS1)=O)CC=1C=CC(OCC=2C=CC=CC2)=CC1)=O |