| SpectraBase Compound ID | BJskBZgErMs |
|---|---|
| InChI | InChI=1S/C11H13N3OS/c1-13(2)11(15)14(3)10-12-8-6-4-5-7-9(8)16-10/h4-7H,1-3H3 |
| InChIKey | RWCDHTCCRIZNEQ-UHFFFAOYSA-N |
| Mol Weight | 235.3 g/mol |
| Molecular Formula | C11H13N3OS |
| Exact Mass | 235.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yOGAnThVP3 |
|---|---|
| Name | Benzthiazuron 2me @P531 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.077933224 u |
| Formula | C11H13N3OS |
| InChI | InChI=1S/C11H13N3OS/c1-13(2)11(15)14(3)10-12-8-6-4-5-7-9(8)16-10/h4-7H,1-3H3 |
| InChIKey | RWCDHTCCRIZNEQ-UHFFFAOYSA-N |
| Molecular Weight | 235.305 g/mol |
| SMILES | C=1C=C2N=C(SC2=CC1)N(C(N(C)C)=O)C |