| SpectraBase Compound ID | Bfr21ugw5oO |
|---|---|
| InChI | InChI=1S/C14H14N2O2S2/c1-9-4-2-3-5-10(9)16-12(17)8-11(13(16)18)20-14-15-6-7-19-14/h2-5,11H,6-8H2,1H3 |
| InChIKey | CROHYAHISFTMSY-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C14H14N2O2S2 |
| Exact Mass | 306.04967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FULXmyx3w7m |
|---|---|
| Name | 3-(4,5-Dihydro-thiazol-2-ylsulfanyl)-1-o-tolyl-pyrrolidine-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.049670045 u |
| Formula | C14H14N2O2S2 |
| InChI | InChI=1S/C14H14N2O2S2/c1-9-4-2-3-5-10(9)16-12(17)8-11(13(16)18)20-14-15-6-7-19-14/h2-5,11H,6-8H2,1H3 |
| InChIKey | CROHYAHISFTMSY-UHFFFAOYSA-N |
| Molecular Weight | 306.398 g/mol |
| SMILES | CC1=CC=CC=C1N1C(C(CC1=O)SC=1SCCN1)=O |