| SpectraBase Spectrum ID |
EXaJCE6pwmA |
| Name |
4-methylbenzenesulfonic acid (2-methylol-1H-indol-7-yl) ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15NO4S |
| InChI |
InChI=1S/C16H15NO4S/c1-11-5-7-14(8-6-11)22(19,20)21-15-4-2-3-12-9-13(10-18)17-16(12)15/h2-9,17-18H,10H2,1H3 |
| InChIKey |
VVFIJCVFZIJRPT-UHFFFAOYSA-N |
| Molecular Weight |
317.359 g/mol |
| SMILES |
[nH]1c(CO)cc2c1c(OS(c1ccc(cc1)C)(=O)=O)ccc2 |
| SPLASH |
splash10-03xr-0906000000-74154a369f7ba6946864 |
| Source of Spectrum |
KC-0-1720-9 |
| Synonyms |
4-methylbenzenesulfonic acid [2-(hydroxymethyl)-1H-indol-7-yl] ester |
| Wiley ID |
828483 |
