| SpectraBase Compound ID | B2tD9LEbm5 |
|---|---|
| InChI | InChI=1S/C13H14BrN3O3S/c14-11-9-15-17(10-11)12-1-3-13(4-2-12)21(18,19)16-5-7-20-8-6-16/h1-4,9-10H,5-8H2 |
| InChIKey | HDNURTZHMMVQCV-UHFFFAOYSA-N |
| Mol Weight | 372.24 g/mol |
| Molecular Formula | C13H14BrN3O3S |
| Exact Mass | 370.993925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gYpRnD5g5V |
|---|---|
| Name | 4-Bromo-1-(4-morpholinosulfonylphenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.993925494 u |
| Formula | C13H14BrN3O3S |
| InChI | InChI=1S/C13H14BrN3O3S/c14-11-9-15-17(10-11)12-1-3-13(4-2-12)21(18,19)16-5-7-20-8-6-16/h1-4,9-10H,5-8H2 |
| InChIKey | HDNURTZHMMVQCV-UHFFFAOYSA-N |
| Molecular Weight | 372.237 g/mol |
| SMILES | C1(Br)=CN(C2=CC=C(C=C2)S(=O)(=O)N2CCOCC2)N=C1 |