| SpectraBase Spectrum ID |
AcqxCQAUzxQ |
| Name |
1H-Pyrazole, 4-bromo-3-(phenylmethyl)-1-(phenylsulfonyl)- |
| Alternate Name(s) |
3-benzyl-4-bromo-1-(phenylsulfonyl)-1H-pyrazole
3-Benzyl-4-bromo-1-phenylsulphonylpyrazole |
| CAS Registry Number |
130874-42-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13BrN2O2S |
| InChI |
InChI=1S/C16H13BrN2O2S/c17-15-12-19(22(20,21)14-9-5-2-6-10-14)18-16(15)11-13-7-3-1-4-8-13/h1-10,12H,11H2 |
| InChIKey |
MDYVZAYZJOWUMA-UHFFFAOYSA-N |
| Molecular Weight |
377.256 g/mol |
| SMILES |
c1(S([n]2nc(Cc3ccccc3)c(c2)Br)(=O)=O)ccccc1 |
| SPLASH |
splash10-004i-9004000000-9613b1e73bf26acf3e4a |
| Source of Spectrum |
KC-1990-1833-24 |
| Wiley ID |
1357461 |
