| SpectraBase Spectrum ID |
I4We2LwdNOB |
| Name |
(7S,7as,14S,14Ar)-3,3-bis-phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-A;1',2'-E][1,5]diazocin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.195606005 u |
| Formula |
C27H32N2OS2 |
| InChI |
InChI=1S/C27H32N2OS2/c30-26-27(31-22-9-3-1-4-10-22,32-23-11-5-2-6-12-23)15-14-25-20-17-21(19-29(25)26)24-13-7-8-16-28(24)18-20/h1-6,9-12,20-21,24-25H,7-8,13-19H2/t20-,21-,24-,25+/m0/s1 |
| InChIKey |
ALILPGLQXNCHGX-WIHVIGOGSA-N |
| Molecular Weight |
464.686 g/mol |
| SMILES |
C1(N2[C@](CCC1(SC1=CC=CC=C1)SC1=CC=CC=C1)([C@@]1(CN3CCCC[C@]3([C@@](C2)([H])C1)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873637 |
![(7S,7aS,14S,14aR)-3,3-Bis-phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one](/api/spectrum/I4We2LwdNOB/structure.png?h=300&w=458 "(7S,7aS,14S,14aR)-3,3-Bis-phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one")
