| SpectraBase Compound ID | CUZcETX56YQ |
|---|---|
| InChI | InChI=1S/C17H19BrN2OS/c1-2-3-12-21-16-10-8-15(9-11-16)20-17(22)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H2,19,20,22) |
| InChIKey | ZXABUYVGOUWQLU-UHFFFAOYSA-N |
| Mol Weight | 379.32 g/mol |
| Molecular Formula | C17H19BrN2OS |
| Exact Mass | 378.040147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PSnFAeq94m |
|---|---|
| Name | N-(4-Bromophenyl)-N'-(4-butoxyphenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.040147413 u |
| Formula | C17H19BrN2OS |
| InChI | InChI=1S/C17H19BrN2OS/c1-2-3-12-21-16-10-8-15(9-11-16)20-17(22)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H2,19,20,22) |
| InChIKey | ZXABUYVGOUWQLU-UHFFFAOYSA-N |
| Molecular Weight | 379.316 g/mol |
| SMILES | N(C(NC=1C=CC(=CC1)OCCCC)=S)C1=CC=C(C=C1)Br |