| SpectraBase Compound ID | KcJGILVGw9k |
|---|---|
| InChI | InChI=1S/C14H12N4O3S/c1-9-5-4-8-12(15-9)16-14(22)17-13(19)10-6-2-3-7-11(10)18(20)21/h2-8H,1H3,(H2,15,16,17,19,22) |
| InChIKey | NKZJJQYSESPYSO-UHFFFAOYSA-N |
| Mol Weight | 316.34 g/mol |
| Molecular Formula | C14H12N4O3S |
| Exact Mass | 316.063011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | snKdaAbK1E |
|---|---|
| Name | 1-(6-Methylpyridin-2-yl)-3-(2-nitrobenzoyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.063011433 u |
| Formula | C14H12N4O3S |
| InChI | InChI=1S/C14H12N4O3S/c1-9-5-4-8-12(15-9)16-14(22)17-13(19)10-6-2-3-7-11(10)18(20)21/h2-8H,1H3,(H2,15,16,17,19,22) |
| InChIKey | NKZJJQYSESPYSO-UHFFFAOYSA-N |
| Molecular Weight | 316.335 g/mol |
| SMILES | C(NC(NC=1N=C(C)C=CC1)=S)(=O)C1=CC=CC=C1N(=O)=O |