| SpectraBase Compound ID | Gbrq9kN7QiF |
|---|---|
| InChI | InChI=1S/C16H16N2O3S/c1-20-13-7-3-5-11(9-13)15(19)18-16(22)17-12-6-4-8-14(10-12)21-2/h3-10H,1-2H3,(H2,17,18,19,22) |
| InChIKey | ZMZSJJNCJUCAEE-UHFFFAOYSA-N |
| Mol Weight | 316.38 g/mol |
| Molecular Formula | C16H16N2O3S |
| Exact Mass | 316.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkLCWPz86AK |
|---|---|
| Name | N-(3-Methoxybenzoyl)-N'-(3-methoxyphenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.088163554 u |
| Formula | C16H16N2O3S |
| InChI | InChI=1S/C16H16N2O3S/c1-20-13-7-3-5-11(9-13)15(19)18-16(22)17-12-6-4-8-14(10-12)21-2/h3-10H,1-2H3,(H2,17,18,19,22) |
| InChIKey | ZMZSJJNCJUCAEE-UHFFFAOYSA-N |
| SMILES | N(C(NC(=O)C1=CC=CC(=C1)OC)=S)C1=CC(=CC=C1)OC |