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2-Butanamine, 3-(phenylthio)-, (R*,R*)-
SpectraBase Compound ID pdgZDSDyxr
InChI InChI=1S/C10H15NS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9H,11H2,1-2H3/t8-,9-/m1/s1
InChIKey MXRZYUAFHRKUKG-RKDXNWHRSA-N
Mol Weight 181.3 g/mol
Molecular Formula C10H15NS
Exact Mass 181.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DFva0e7ivV
Name 2-Butanamine, 3-(phenylthio)-, (R*,R*)-
Alternate Name(s) (1R,2R)-1-methyl-2-(phenylsulfanyl)propylamine (2R,3R)-3-(phenylsulfanyl)-2-butanamine (2RS,3RS)-3-phenylthio-2-butanamine
CAS Registry Number 96185-36-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NS
InChI InChI=1S/C10H15NS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9H,11H2,1-2H3/t8-,9-/m1/s1
InChIKey MXRZYUAFHRKUKG-RKDXNWHRSA-N
Molecular Weight 181.297 g/mol
SMILES N[C@@]([C@](Sc1ccccc1)(C)[H])(C)[H]
SPLASH splash10-0006-9100000000-7f2af47126671f6e166c
Source of Spectrum H-68-228-10
Wiley ID 1177563