| SpectraBase Spectrum ID |
G0Z1pTA8zBp |
| Name |
(1SR,3aSR,5RS,7aSR)-7a-(2-cyanoethyl)octahydro-5-methyl-2-methylene-7-oxo-1-[(phenylsulfonyl)methyl]-1H-indene |
| Alternate Name(s) |
3-{6-methyl-2-methylene-4-oxo-3-[(phenylsulfonyl)methyl]octahydro-3aH-inden-3a-yl}propanenitrile |
| CAS Registry Number |
118892-18-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c1-15-11-17-13-16(2)19(21(17,9-6-10-22)20(23)12-15)14-26(24,25)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,2,6,9,11-14H2,1H3 |
| InChIKey |
HDARZMZMDNWKHW-UHFFFAOYSA-N |
| Molecular Weight |
371.495 g/mol |
| SMILES |
C(S(=O)(=O)c1ccccc1)C1C2(C(CC(CC2CC1=C)C)=O)CCC#N |
| SPLASH |
splash10-0apu-5930000000-51d2aec420c93182e2c5 |
| Source of Spectrum |
J-54-1558-27 |
| Wiley ID |
1354985 |
![(1SR,3aSR,5RS,7aSR)-7a-(2-cyanoethyl)octahydro-5-methyl-2-methylene-7-oxo-1-[(phenylsulfonyl)methyl]-1H-indene](/api/spectrum/G0Z1pTA8zBp/structure.png?h=300&w=458 "(1SR,3aSR,5RS,7aSR)-7a-(2-cyanoethyl)octahydro-5-methyl-2-methylene-7-oxo-1-[(phenylsulfonyl)methyl]-1H-indene")
