| SpectraBase Spectrum ID |
ILsU4MMzp3U |
| Name |
5-Bromo-7-(p-toluenesulfonyloxy)indole-2-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12BrNO5S |
| InChI |
InChI=1S/C16H12BrNO5S/c1-9-2-4-12(5-3-9)24(21,22)23-14-8-11(17)6-10-7-13(16(19)20)18-15(10)14/h2-8,18H,1H3,(H,19,20) |
| InChIKey |
LHHKJXDBAYGWPP-UHFFFAOYSA-N |
| Molecular Weight |
410.238 g/mol |
| SMILES |
[nH]1c2c(cc(cc2cc1C(=O)O)Br)OS(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-06r6-7000900000-2c57ced2c62dff2ca98e |
| Source of Spectrum |
PS-54-61-0 |
| Synonyms |
5-bromo-7-{[(4-methylphenyl)sulfonyl]oxy}-1H-indole-2-carboxylic acid
5-bromo-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid
5-bromo-7-(p-tolylsulfonyloxy)-1H-indole-2-carboxylic acid
5-bromanyl-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid |
| Wiley ID |
805216 |
