| SpectraBase Spectrum ID |
1qua0ZGoS44 |
| Name |
5-Cyclohex-1-enylethynyl-2-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindol-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23NO3S |
| InChI |
InChI=1S/C23H23NO3S/c1-17-7-13-21(14-8-17)28(26,27)24-15-20-12-11-19(23(25)22(20)16-24)10-9-18-5-3-2-4-6-18/h5,7-8,11-14,25H,2-4,6,15-16H2,1H3 |
| InChIKey |
HGIJZMSJACJWMX-UHFFFAOYSA-N |
| Molecular Weight |
393.501 g/mol |
| SMILES |
Oc1c2CN(S(c3ccc(cc3)C)(=O)=O)Cc2ccc1C#CC1=CCCCC1 |
| SPLASH |
splash10-000l-1094000000-0473224d77e35173dae9 |
| Source of Spectrum |
F4-40-2716-14b |
| Wiley ID |
1670894 |
