| SpectraBase Spectrum ID |
L6BFfBjT0e1 |
| Name |
exo-(4aS*,8S*,8aS*)-2-Benzenesulfonyl-8-methyl-8a-phenylthio-3,4,4a,5,5,8,8a-hexahydro-2H-isoquinoline-1,6-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23NO4S2 |
| InChI |
InChI=1S/C22H23NO4S2/c1-16-14-18(24)15-17-12-13-23(29(26,27)20-10-6-3-7-11-20)21(25)22(16,17)28-19-8-4-2-5-9-19/h2-11,16-17H,12-15H2,1H3/t16-,17-,22-/m0/s1 |
| InChIKey |
YDUOVSAAKXUYIX-HOIFWPIMSA-N |
| Molecular Weight |
429.549 g/mol |
| SMILES |
c1(S(N2C([C@@]3([C@](CC(C[C@@]3(CC2)[H])=O)(C)[H])Sc2ccccc2)=O)(=O)=O)ccccc1 |
| SPLASH |
splash10-004i-9000800000-c22cf621dfb1829f7729 |
| Source of Spectrum |
O1-56-288-10 |
| Wiley ID |
1591622 |
