| SpectraBase Spectrum ID |
68RgWLL6RrZ |
| Name |
Isoquinoline, 2,3,4,4a,5,6,7,8-octahydro-1-methyl-3-(phenylmethoxy)-2-(phenylsulfonyl)-, trans- |
| CAS Registry Number |
132646-71-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27NO3S |
| InChI |
InChI=1S/C23H27NO3S/c1-18-22-15-9-8-12-20(22)16-23(27-17-19-10-4-2-5-11-19)24(18)28(25,26)21-13-6-3-7-14-21/h2-7,10-11,13-14,20,23H,8-9,12,15-17H2,1H3/t20-,23+/m0/s1 |
| InChIKey |
GLAZWWPBFPZOSS-NZQKXSOJSA-N |
| Molecular Weight |
397.533 g/mol |
| SMILES |
c1(S(N2C(=C3CCCC[C@]3(C[C@]2(OCc2ccccc2)[H])[H])C)(=O)=O)ccccc1 |
| SPLASH |
splash10-0006-0090000000-c449e785e174dbff4e7e |
| 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 benzyl ether
(3R,4aS)-3-(benzyloxy)-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline
(3S*,4aR*)-2-(phenylsufonyl)-1-methyl-3-benzyloxy-2,3,4,4a,5,6,7-octahydroisoquinoline |
| Wiley ID |
1368014 |
