| SpectraBase Compound ID | 604fjVmRSTM |
|---|---|
| InChI | InChI=1S/C15H15N3O2S/c1-4-20-14(19)12-8-10(3)18(17-12)15-16-11-6-5-9(2)7-13(11)21-15/h5-8H,4H2,1-3H3 |
| InChIKey | SLJUIMWQFXWWBP-UHFFFAOYSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C15H15N3O2S |
| Exact Mass | 301.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqQQZWzvtC3 |
|---|---|
| Name | 1-(6'-Methylbenzothiazol-2'-yl)-5-methyl-3-ethoxycarbonylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.088497907 u |
| Formula | C15H15N3O2S |
| InChI | InChI=1S/C15H15N3O2S/c1-4-20-14(19)12-8-10(3)18(17-12)15-16-11-6-5-9(2)7-13(11)21-15/h5-8H,4H2,1-3H3 |
| InChIKey | SLJUIMWQFXWWBP-UHFFFAOYSA-N |
| Molecular Weight | 301.364 g/mol |
| SMILES | C1(N2N=C(C(=O)OCC)C=C2C)=NC2=CC=C(C=C2S1)C |