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(1S,5R,7R)-6-(phenylmethyl)-7-(1-phenylsulfanylethenyl)-6-azabicyclo[3.2.0]heptane
SpectraBase Compound ID 9cfLbYeRqrt
InChI InChI=1S/C21H23NS/c1-16(23-18-11-6-3-7-12-18)21-19-13-8-14-20(19)22(21)15-17-9-4-2-5-10-17/h2-7,9-12,19-21H,1,8,13-15H2/t19-,20+,21-/m0/s1
InChIKey NQRDEPMCIXGFRQ-HBMCJLEFSA-N
Mol Weight 321.48 g/mol
Molecular Formula C21H23NS
Exact Mass 321.155121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BezhPxFqm7m
Name (1S,5R,7R)-6-(phenylmethyl)-7-(1-phenylsulfanylethenyl)-6-azabicyclo[3.2.0]heptane
Alternate Name(s) (1S,5R,7R)-6-(phenylmethyl)-7-[1-(phenylthio)ethenyl]-6-azabicyclo[3.2.0]heptane (1S,5R,7R)-6-benzyl-7-(1-phenylsulfanylethenyl)-6-azabicyclo[3.2.0]heptane (1S,5R,7R)-6-benzyl-7-[1-(phenylthio)vinyl]-6-azabicyclo[3.2.0]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NS
InChI InChI=1S/C21H23NS/c1-16(23-18-11-6-3-7-12-18)21-19-13-8-14-20(19)22(21)15-17-9-4-2-5-10-17/h2-7,9-12,19-21H,1,8,13-15H2/t19-,20+,21-/m0/s1
InChIKey NQRDEPMCIXGFRQ-HBMCJLEFSA-N
Molecular Weight 321.482 g/mol
SMILES [C@@]1(N([C@]2([C@@]1(CCC2)[H])[H])Cc1ccccc1)(C(Sc1ccccc1)=C)[H]
SPLASH splash10-006x-9438000000-a809eb919810cd3ccec9
Source of Spectrum QA-45-171-14
Wiley ID 862714