| SpectraBase Spectrum ID |
6Lx1srFHrjj |
| Name |
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-(phenylsulfonyl)-, phenyl ester |
| CAS Registry Number |
130874-38-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11BrN2O4S |
| InChI |
InChI=1S/C16H11BrN2O4S/c17-14-11-18-19(24(21,22)13-9-5-2-6-10-13)15(14)16(20)23-12-7-3-1-4-8-12/h1-11H |
| InChIKey |
PKDPEQHHYDKQQY-UHFFFAOYSA-N |
| Molecular Weight |
407.238 g/mol |
| SMILES |
c1(S([n]2c(C(Oc3ccccc3)=O)c(Br)cn2)(=O)=O)ccccc1 |
| SPLASH |
splash10-004i-9000000000-43c2b38bd8f7af7affdf |
| Source of Spectrum |
KC-1990-1833-20 |
| Synonyms |
phenyl 4-bromo-1-(phenylsulfonyl)-1H-pyrazole-5-carboxylate
Phenyl 4-bromo-1-phenylsulphonylpyrazole-5-carboxylate |
| Wiley ID |
1371925 |
