| SpectraBase Spectrum ID |
BMspRrgsWxJ |
| Name |
(2.alpha.,4a.alpha.,8a.beta.)-2-[4-(2-Pyridinyl)-1-piperazinyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-6(5'H)-one |
| Alternate Name(s) |
(4aR,6R,8aS)-6-[4-(2-pyridinyl)-1-piperazinyl]octahydro-2(1H)-naphthalenone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27N3O |
| InChI |
InChI=1S/C19H27N3O/c23-18-7-5-15-13-17(6-4-16(15)14-18)21-9-11-22(12-10-21)19-3-1-2-8-20-19/h1-3,8,15-17H,4-7,9-14H2/t15-,16+,17-/m1/s1 |
| InChIKey |
FAEDVVTXRIPZTN-IXDOHACOSA-N |
| Molecular Weight |
313.445 g/mol |
| SMILES |
c1(N2CCN(CC2)[C@]2(C[C@]3(CCC(C[C@@]3(CC2)[H])=O)[H])[H])ncccc1 |
| SPLASH |
splash10-0a4i-0901000000-d5aaf6089c60ba9f37ad |
| Source of Spectrum |
E1-37-4255-17 |
| Wiley ID |
1575453 |
![(2.alpha.,4a.alpha.,8a.beta.)-2-[4-(2-Pyridinyl)-1-piperazinyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-6(5'H)-one](/api/spectrum/BMspRrgsWxJ/structure.png?h=300&w=458 "(2.alpha.,4a.alpha.,8a.beta.)-2-[4-(2-Pyridinyl)-1-piperazinyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-6(5'H)-one")
