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(1S,2S,.alpha.R)-2-(.alpha.-Methylbenzylamino)-1-phenyl-1,3-propanediol
SpectraBase Compound ID 3GHeBoTw4zF
InChI InChI=1S/C17H21NO2/c1-13(14-8-4-2-5-9-14)18-16(12-19)17(20)15-10-6-3-7-11-15/h2-11,13,16-20H,12H2,1H3/t13-,16+,17+/m1/s1
InChIKey YSBUUERCNSSZDC-COXVUDFISA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DK8rJpIiR2V
Name (1S,2S,.alpha.R)-2-(.alpha.-Methylbenzylamino)-1-phenyl-1,3-propanediol
Alternate Name(s) (1S,2S)-1-phenyl-2-{[(1R)-1-phenylethyl]amino}-1,3-propanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-13(14-8-4-2-5-9-14)18-16(12-19)17(20)15-10-6-3-7-11-15/h2-11,13,16-20H,12H2,1H3/t13-,16+,17+/m1/s1
InChIKey YSBUUERCNSSZDC-COXVUDFISA-N
Molecular Weight 271.360 g/mol
SMILES N([C@@](CO)([C@](c1ccccc1)(O)[H])[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0bt9-0900000000-8df9c03d58a0bd036bc9
Source of Spectrum QC-11-3024-8
Wiley ID 860011