| SpectraBase Spectrum ID |
BztwbZnsh1n |
| Name |
5-(Hydroxypent-1-ynyl)-2-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindol-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4S |
| InChI |
InChI=1S/C20H21NO4S/c1-15-6-10-18(11-7-15)26(24,25)21-13-17-9-8-16(5-3-2-4-12-22)20(23)19(17)14-21/h6-11,22-23H,2,4,12-14H2,1H3 |
| InChIKey |
BRBNATJFGISKJS-UHFFFAOYSA-N |
| Molecular Weight |
371.451 g/mol |
| SMILES |
OCCCC#Cc1ccc2CN(Cc2c1O)S(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-01b9-2489000000-8b8ff0840c8da7553db1 |
| Source of Spectrum |
F4-40-2716-13 |
| Wiley ID |
1670895 |
