| SpectraBase Spectrum ID |
K9Kr97Z39Fm |
| Name |
(5-bromanyl-3-methanoyl-1H-indol-7-yl) 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12BrNO4S |
| InChI |
InChI=1S/C16H12BrNO4S/c1-10-2-4-13(5-3-10)23(20,21)22-15-7-12(17)6-14-11(9-19)8-18-16(14)15/h2-9,18H,1H3 |
| InChIKey |
LADVMWQKJNWTDR-UHFFFAOYSA-N |
| Molecular Weight |
394.239 g/mol |
| SMILES |
[nH]1cc(c2cc(cc(c12)OS(c1ccc(cc1)C)(=O)=O)Br)C=O |
| SPLASH |
splash10-0006-7009000000-aa7f2672b30b371c0b38 |
| Source of Spectrum |
PS-54-61-47 |
| Synonyms |
(5-bromo-3-formyl-1H-indol-7-yl) 4-methylbenzenesulfonate
4-methylbenzenesulfonic acid (5-bromo-3-formyl-1H-indol-7-yl) ester |
| Wiley ID |
805215 |
