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

*Links on SpectraBase are not permalinks.

2,2-Dimethyl-5-({2-[(1S)-1-(methylthio)ethyl]phenyl}seleno)-6-phenyltetrahydro-2H-pyran

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2-Dimethyl-5-({2-[(1S)-1-(methylthio)ethyl]phenyl}seleno)-6-phenyltetrahydro-2H-pyran
SpectraBase Compound ID GVhN8xUSrvF
InChI InChI=1S/C22H28OSSe/c1-16(24-4)18-12-8-9-13-19(18)25-20-14-15-22(2,3)23-21(20)17-10-6-5-7-11-17/h5-13,16,20-21H,14-15H2,1-4H3/t16-,20?,21?/m0/s1
InChIKey IEMVOQSUAWEUQN-ATIQYGATSA-N
Mol Weight 419.5 g/mol
Molecular Formula C22H28OSSe
Exact Mass 420.102609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HktD2SVgRUu
Name 2,2-Dimethyl-5-({2-[(1S)-1-(methylthio)ethyl]phenyl}seleno)-6-phenyltetrahydro-2H-pyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.102608695 u
Formula C22H28OSSe
InChI InChI=1S/C22H28OSSe/c1-16(24-4)18-12-8-9-13-19(18)25-20-14-15-22(2,3)23-21(20)17-10-6-5-7-11-17/h5-13,16,20-21H,14-15H2,1-4H3/t16-,20?,21?/m0/s1
InChIKey IEMVOQSUAWEUQN-ATIQYGATSA-N
Molecular Weight 419.497 g/mol
SMILES C1([Se]C=2C([C@@](SC)(C)[H])=CC=CC2)C(OC(CC1)(C)C)C1=CC=CC=C1