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(2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-methyl-3-(phenylthio)pyrrolidine
SpectraBase Compound ID 52dDVMVQ9VQ
InChI InChI=1S/C20H25NOS/c1-4-19-20(23-18-8-6-5-7-9-18)15(2)14-21(19)16-10-12-17(22-3)13-11-16/h5-13,15,19-20H,4,14H2,1-3H3/t15-,19+,20-/m1/s1
InChIKey YZBQODCNJLOFBF-UIAACRFSSA-N
Mol Weight 327.49 g/mol
Molecular Formula C20H25NOS
Exact Mass 327.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TLLjrsJNIb
Name (2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-methyl-3-(phenylthio)pyrrolidine
Alternate Name(s) (2S,3R,4R)-2-ethyl-1-(4-methoxyphenyl)-4-methyl-3-phenylsulfanylpyrrolidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NOS
InChI InChI=1S/C20H25NOS/c1-4-19-20(23-18-8-6-5-7-9-18)15(2)14-21(19)16-10-12-17(22-3)13-11-16/h5-13,15,19-20H,4,14H2,1-3H3/t15-,19+,20-/m1/s1
InChIKey YZBQODCNJLOFBF-UIAACRFSSA-N
Molecular Weight 327.486 g/mol
SMILES [C@@]1(N(C[C@]([C@]1(Sc1ccccc1)[H])(C)[H])c1ccc(cc1)OC)(CC)[H]
SPLASH splash10-002r-0907000000-0e3ec3d70a7194084409
Source of Spectrum J-64-9603-15
Wiley ID 1531849