For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3R,7S,7aS,14S,14aR)-3-Phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one
SpectraBase Compound ID HOibaC10Kps
InChI InChI=1S/C21H28N2OS/c24-21-20(25-17-6-2-1-3-7-17)10-9-19-15-12-16(14-23(19)21)18-8-4-5-11-22(18)13-15/h1-3,6-7,15-16,18-20H,4-5,8-14H2/t15-,16-,18-,19+,20+/m0/s1
InChIKey SRADSYCIZFNRCG-FLFBIERCSA-N
Mol Weight 356.53 g/mol
Molecular Formula C21H28N2OS
Exact Mass 356.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID InoDvisb5lM
Name (3R,7S,7aS,14S,14aR)-3-Phenylsulfanyl-dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2OS
InChI InChI=1S/C21H28N2OS/c24-21-20(25-17-6-2-1-3-7-17)10-9-19-15-12-16(14-23(19)21)18-8-4-5-11-22(18)13-15/h1-3,6-7,15-16,18-20H,4-5,8-14H2/t15-,16-,18-,19+,20+/m0/s1
InChIKey SRADSYCIZFNRCG-FLFBIERCSA-N
Molecular Weight 356.528 g/mol
SMILES C1(N2[C@](CC[C@]1(Sc1ccccc1)[H])([C@@]1(CN3CCCC[C@]3([C@@](C2)([H])C1)[H])[H])[H])=O
SPLASH splash10-0002-1490000000-0bdca3d0c6d7e1b4d545
Source of Spectrum F-65-3457-8
Synonyms 3.alpha.-Phenylthiolupanine
Wiley ID 1680530