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

*Links on SpectraBase are not permalinks.
(1.alpha.,4.alpha.,5.alpha.)-4-Ethoxy-2,4-diphenyl-7-thia-3-azabicyclo[3.3.1]non-2-en-9-one
SpectraBase Compound ID 4DRKqvWPyKd
InChI InChI=1S/C21H21NO2S/c1-2-24-21(16-11-7-4-8-12-16)18-14-25-13-17(20(18)23)19(22-21)15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18-,21-/m0/s1
InChIKey TXWFDRFCVHJPSL-WFXMLNOXSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 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 KJwkKHfn5Uc
Name (1.alpha.,4.alpha.,5.alpha.)-4-Ethoxy-2,4-diphenyl-7-thia-3-azabicyclo[3.3.1]non-2-en-9-one
CAS Registry Number 143143-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-2-24-21(16-11-7-4-8-12-16)18-14-25-13-17(20(18)23)19(22-21)15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18-,21-/m0/s1
InChIKey TXWFDRFCVHJPSL-WFXMLNOXSA-N
Molecular Weight 351.464 g/mol
SMILES [C@]1(N=C(c2ccccc2)[C@]2(C([C@@]1(CSC2)[H])=O)[H])(c1ccccc1)OCC
SPLASH splash10-0a4i-0906000000-b23b1d651ab8c9ed3f83
Source of Spectrum K-126-140-10
Synonyms (1R,5S,8R)-8-ethoxy-6,8-diphenyl-3-thia-7-azabicyclo[3.3.1]non-6-en-9-one
Wiley ID 1342661