| SpectraBase Compound ID | 8PZTjrtveqw |
|---|---|
| InChI | InChI=1S/C12H13BrN2O2S/c1-8-4-9(2)12(10(3)5-8)18(16,17)15-7-11(13)6-14-15/h4-7H,1-3H3 |
| InChIKey | DVMSWMBLCZSTPH-UHFFFAOYSA-N |
| Mol Weight | 329.21 g/mol |
| Molecular Formula | C12H13BrN2O2S |
| Exact Mass | 327.988112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DP6NtNZSVLr |
|---|---|
| Name | 4-Bromo-1-(mesitylsulfonyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.988111839 u |
| Formula | C12H13BrN2O2S |
| InChI | InChI=1S/C12H13BrN2O2S/c1-8-4-9(2)12(10(3)5-8)18(16,17)15-7-11(13)6-14-15/h4-7H,1-3H3 |
| InChIKey | DVMSWMBLCZSTPH-UHFFFAOYSA-N |
| Molecular Weight | 329.212 g/mol |
| SMILES | CC1=CC(=C(S(N2C=C(Br)C=N2)(=O)=O)C(=C1)C)C |