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

*Links on SpectraBase are not permalinks.
(1R,5R,6R,9S,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}-4-one
SpectraBase Compound ID 6CTemzdklwB
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-DZBHQSCQSA-N
Mol Weight 375.59 g/mol
Molecular Formula C21H29NOS2
Exact Mass 375.169057 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 7aL7lOkQQbd
Name (1R,5R,6R,9S,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}-4-one
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-DZBHQSCQSA-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 splash10-0a6s-0913000000-2c313c018eedf4c4af3d
Source of Spectrum H-76-1603-24
Synonyms (1R,5R,6R,9S,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2''-[1,3]dithiane}-4-one (3S,3aR,7R,7aR)-3,7-dimethyl-5-[(1S)-1-phenylethyl]-octahydrospiro[cyclopenta[c]pyridine-2,2'-[1,3]dithiane]-6-one
Wiley ID 1357212