![1-Benzoyl-3-[(4-pyridyl)methyl]-2-thiourea](/api/spectrum/oQVran2CGf/structure.png?h=300&w=458 "1-Benzoyl-3-[(4-pyridyl)methyl]-2-thiourea")
| SpectraBase Compound ID | IZlSfRusFEr |
|---|---|
| InChI | InChI=1S/C14H13N3OS/c18-13(12-4-2-1-3-5-12)17-14(19)16-10-11-6-8-15-9-7-11/h1-9H,10H2,(H2,16,17,18,19) |
| InChIKey | BLPJQEHCDQOKBW-UHFFFAOYSA-N |
| Mol Weight | 271.34 g/mol |
| Molecular Formula | C14H13N3OS |
| Exact Mass | 271.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oQVran2CGf |
|---|---|
| Name | 1-Benzoyl-3-[(4-pyridyl)methyl]-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.077933224 u |
| Formula | C14H13N3OS |
| InChI | InChI=1S/C14H13N3OS/c18-13(12-4-2-1-3-5-12)17-14(19)16-10-11-6-8-15-9-7-11/h1-9H,10H2,(H2,16,17,18,19) |
| InChIKey | BLPJQEHCDQOKBW-UHFFFAOYSA-N |
| Molecular Weight | 271.338 g/mol |
| SMILES | N(CC1=CC=NC=C1)C(NC(C=1C=CC=CC1)=O)=S |