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3-[(2-Hydroxy-1(R)-methyl-2(S)-phenylethyl)methylamino]propionitrile
SpectraBase Compound ID D2FUWLMUg01
InChI InChI=1S/C13H18N2O/c1-11(15(2)10-6-9-14)13(16)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,6,10H2,1-2H3/t11-,13-/m1/s1
InChIKey ANQHQOKTEJIOOQ-DGCLKSJQSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxK3zz5nkcF
Name 3-[(2-Hydroxy-1(R)-methyl-2(S)-phenylethyl)methylamino]propionitrile
Alternate Name(s) 3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl](methyl)amino]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-11(15(2)10-6-9-14)13(16)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,6,10H2,1-2H3/t11-,13-/m1/s1
InChIKey ANQHQOKTEJIOOQ-DGCLKSJQSA-N
Molecular Weight 218.300 g/mol
SMILES O[C@]([C@](N(CCC#N)C)(C)[H])(c1ccccc1)[H]
SPLASH splash10-03di-2900000000-b05612cd5cd6236da63a
Source of Spectrum KC-57-9047-8
Wiley ID 1626261