![5-[3,4-Dimethoxybenzylidene]rhodanine](/api/spectrum/81bhiCSMqzg/structure.png?h=300&w=458 "5-[3,4-Dimethoxybenzylidene]rhodanine")
| SpectraBase Compound ID | FY7WzX0tGwO |
|---|---|
| InChI | InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6+ |
| InChIKey | XVAIHVYMCLRIOV-UXBLZVDNSA-N |
| Mol Weight | 281.34 g/mol |
| Molecular Formula | C12H11NO3S2 |
| Exact Mass | 281.018036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81bhiCSMqzg |
|---|---|
| Name | 5-[3,4-Dimethoxybenzylidene]rhodanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.018035563 u |
| Formula | C12H11NO3S2 |
| InChI | InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6+ |
| InChIKey | XVAIHVYMCLRIOV-UXBLZVDNSA-N |
| SMILES | C1(=S)NC(=O)\C(S1)=C/C1=CC=C(OC)C(OC)=C1 |