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3-Phenylmethanesulfinylmethyl-2-aza-bicyclo[2.2.1]heptane

View entire compound with spectra: 3 MS (GC)

3-Phenylmethanesulfinylmethyl-2-aza-bicyclo[2.2.1]heptane
SpectraBase Compound ID 5gERrr6ATxA
InChI InChI=1S/C14H19NOS/c16-17(9-11-4-2-1-3-5-11)10-14-12-6-7-13(8-12)15-14/h1-5,12-15H,6-10H2/t12-,13+,14+,17?/m1/s1
InChIKey SDQNQSSCHDXGTB-MDVAVASXSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FI4nhHUtk
Name (1S, 3R, 4R)-3-[(Benzylsulfinyl)methyl]-2-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NOS
InChI InChI=1S/C14H19NOS/c16-17(9-11-4-2-1-3-5-11)10-14-12-6-7-13(8-12)15-14/h1-5,12-15H,6-10H2/t12-,13+,14+,17?/m1/s1
InChIKey SDQNQSSCHDXGTB-MDVAVASXSA-N
Molecular Weight 249.372 g/mol
SMILES N1[C@@]2(C[C@]([C@@]1(CS(=O)Cc1ccccc1)[H])(CC2)[H])[H]
SPLASH splash10-00kf-9430000000-bf66268afe9404cf37a5
Source of Spectrum F5-1-362-7-minor
Synonyms (1R,2R,4S)-2-[(phenylmethyl)sulfinylmethyl]-3-azabicyclo[2.2.1]heptane
Wiley ID 1710404