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(1S,2S,Rs)-3,3,3-Trifluoro-2-amino-1-phenylpropyl p-tolyl sulfoxide
SpectraBase Compound ID 5016mA3GjSh
InChI InChI=1S/C16H16F3NOS/c1-11-7-9-13(10-8-11)22(21)14(15(20)16(17,18)19)12-5-3-2-4-6-12/h2-10,14-15H,20H2,1H3/t14-,15+,22?/m0/s1
InChIKey JTZKPOXLVZBNBT-IHGBKINDSA-N
Mol Weight 327.37 g/mol
Molecular Formula C16H16F3NOS
Exact Mass 327.09047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1kBJioLnQl
Name (1S,2S,Rs)-3,3,3-Trifluoro-2-amino-1-phenylpropyl p-tolyl sulfoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NOS
InChI InChI=1S/C16H16F3NOS/c1-11-7-9-13(10-8-11)22(21)14(15(20)16(17,18)19)12-5-3-2-4-6-12/h2-10,14-15H,20H2,1H3/t14-,15+,22?/m0/s1
InChIKey JTZKPOXLVZBNBT-IHGBKINDSA-N
Molecular Weight 327.365 g/mol
SMILES N[C@]([C@@](S(c1ccc(cc1)C)=O)(c1ccccc1)[H])(C(F)(F)F)[H]
SPLASH splash10-000i-2901000000-04fce431e6e2bc4ab57e
Source of Spectrum F-54-12802-14
Synonyms (1S)-2,2,2-trifluoro-1-[(S)-[(4-methylphenyl)sulfinyl](phenyl)methyl]ethylamine (2S,3S)-1,1,1-trifluoro-3-[(4-methylphenyl)sulfinyl]-3-phenyl-2-propanamine
Wiley ID 809324