| SpectraBase Spectrum ID |
FjKuAp80Xle |
| Name |
(1R,5R,6R,9R,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}-4-one |
| Alternate Name(s) |
(3R,3aR,7R,7aR)-3,7-dimethyl-5-[(1S)-1-phenylethyl]-octahydrospiro[cyclopenta[c]pyridine-2,2'-[1,3]dithiane]-6-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NOS2 |
| InChI |
InChI=1S/C21H29NOS2/c1-14-18-12-21(24-10-7-11-25-21)15(2)19(18)13-22(20(14)23)16(3)17-8-5-4-6-9-17/h4-6,8-9,14-16,18-19H,7,10-13H2,1-3H3/t14-,15-,16+,18+,19+/m1/s1 |
| InChIKey |
PKTCPBSFXZVAPZ-SMYFESCOSA-N |
| Molecular Weight |
375.589 g/mol |
| SMILES |
C1(N(C[C@@]2([C@]([C@]1(C)[H])(CC1([C@@]2(C)[H])SCCCS1)[H])[H])[C@](c1ccccc1)(C)[H])=O |
| SPLASH |
splash10-0a6r-0907000000-eade98edb4089286aa57 |
| Source of Spectrum |
H-76-1603-27 |
| Wiley ID |
1357211 |
![(1R,5R,6R,9R,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}-4-one](/api/spectrum/FjKuAp80Xle/structure.png?h=300&w=458 "(1R,5R,6R,9R,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2\"-[1,3]dithiane}-4-one")
