| SpectraBase Spectrum ID |
3bGGDnkKnV7 |
| Name |
1-(benzenesulfonyl)-4-bromo-3,5-dimethyl-pyrazole |
| Alternate Name(s) |
1-besyl-4-bromo-3,5-dimethyl-pyrazole
4-bromanyl-3,5-dimethyl-1-(phenylsulfonyl)pyrazole |
| CAS Registry Number |
130874-32-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11BrN2O2S |
| InChI |
InChI=1S/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3 |
| InChIKey |
ZIUFRYBNFVJNFI-UHFFFAOYSA-N |
| Molecular Weight |
315.185 g/mol |
| SMILES |
c1(S([n]2c(c(Br)c(n2)C)C)(=O)=O)ccccc1 |
| SPLASH |
splash10-004i-9001000000-9a42d82ce9c87d0afd72 |
| Source of Spectrum |
KC-1990-1832-12 |
| Wiley ID |
1314608 |
