| SpectraBase Compound ID | 9s5XTcWfWfs |
|---|---|
| InChI | InChI=1S/C12H16N2O3S2/c1-17-11-4-2-9(3-5-11)13-12(18)14-10-6-7-19(15,16)8-10/h2-5,10H,6-8H2,1H3,(H2,13,14,18) |
| InChIKey | BLGISOHAFZNJEE-UHFFFAOYSA-N |
| Mol Weight | 300.39 g/mol |
| Molecular Formula | C12H16N2O3S2 |
| Exact Mass | 300.060235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8FIdPtRyje |
|---|---|
| Name | N-(1,1-Dioxidotetrahydro-3-thienyl)-N'-(4-methoxyphenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.060234728 u |
| Formula | C12H16N2O3S2 |
| InChI | InChI=1S/C12H16N2O3S2/c1-17-11-4-2-9(3-5-11)13-12(18)14-10-6-7-19(15,16)8-10/h2-5,10H,6-8H2,1H3,(H2,13,14,18) |
| InChIKey | BLGISOHAFZNJEE-UHFFFAOYSA-N |
| Molecular Weight | 300.391 g/mol |
| SMILES | N(C(NC1CS(=O)(=O)CC1)=S)C1=CC=C(C=C1)OC |