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(1R,2S)-2-p-Tolylsulfanylmethyl-5-vinyl-1-azabicyclo[2.2.2]octane

View entire compound with spectra: 1 FTIR

(1R,2S)-2-p-Tolylsulfanylmethyl-5-vinyl-1-azabicyclo[2.2.2]octane
SpectraBase Compound ID 9ek8kSlMb5S
InChI InChI=1S/C17H23NS/c1-3-14-11-18-9-8-15(14)10-16(18)12-19-17-6-4-13(2)5-7-17/h3-7,14-16H,1,8-12H2,2H3/t14-,15-,16-/m0/s1
InChIKey SBUQZYPRNHXWLE-JYJNAYRXSA-N
Mol Weight 273.44 g/mol
Molecular Formula C17H23NS
Exact Mass 273.155121 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9wEbF2ZdWdZ
Name (1R,2S)-2-p-Tolylsulfanylmethyl-5-vinyl-1-azabicyclo[2.2.2]octane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.155120919 u
Formula C17H23NS
InChI InChI=1S/C17H23NS/c1-3-14-11-18-9-8-15(14)10-16(18)12-19-17-6-4-13(2)5-7-17/h3-7,14-16H,1,8-12H2,2H3/t14-,15-,16-/m0/s1
InChIKey SBUQZYPRNHXWLE-JYJNAYRXSA-N
SMILES [C@]1(N2CC[C@@](C1)([C@](C2)(C=C)[H])[H])(CSC1=CC=C(C=C1)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894702