| SpectraBase Spectrum ID |
3GHssYFE88g |
| Name |
Isoquinoline, 3-ethoxy-2,3,4,4a,5,6,7,8-octahydro-1-methyl-2-(phenylsulfonyl)-, trans- |
| CAS Registry Number |
132646-66-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO3S |
| InChI |
InChI=1S/C18H25NO3S/c1-3-22-18-13-15-9-7-8-12-17(15)14(2)19(18)23(20,21)16-10-5-4-6-11-16/h4-6,10-11,15,18H,3,7-9,12-13H2,1-2H3/t15-,18+/m0/s1 |
| InChIKey |
XXCYHFUNGOSVLF-MAUKXSAKSA-N |
| Molecular Weight |
335.462 g/mol |
| SMILES |
c1(S(N2C(=C3CCCC[C@]3(C[C@]2(OCC)[H])[H])C)(=O)=O)ccccc1 |
| SPLASH |
splash10-002b-8900000000-a087b6c472eb2bc63c24 |
| Source of Spectrum |
C-113-1721-2 |
| Synonyms |
(3R,4aS)-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydro-3-isoquinolinyl ethyl ether
(3R,4aS)-3-ethoxy-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline
(3S*,4aR*)-2-(phenylsufonyl)-1-methyl-3-ethoxy-2,3,4,4a,5,6,7-octahydroisoquinoline |
| Wiley ID |
1331659 |
