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(2S,3S,4R)-3-Chloro-4-{[(1R)-1-phenylethyl]amino}pentan-2-ol
SpectraBase Compound ID LvCgWWiVPpQ
InChI InChI=1S/C13H20ClNO/c1-9(12-7-5-4-6-8-12)15-10(2)13(14)11(3)16/h4-11,13,15-16H,1-3H3/t9-,10-,11+,13+/m1/s1
InChIKey WVCLKCRJXPQSIJ-DCQANWLSSA-N
Mol Weight 241.76 g/mol
Molecular Formula C13H20ClNO
Exact Mass 241.123342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc6Wb7jW0NT
Name (2S,3S,4R)-3-Chloro-4-{[(1R)-1-phenylethyl]amino}pentan-2-ol
Alternate Name(s) (2S,3S,4R)-3-chloro-4-{[(1R)-1-phenylethyl]amino}-2-pentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20ClNO
InChI InChI=1S/C13H20ClNO/c1-9(12-7-5-4-6-8-12)15-10(2)13(14)11(3)16/h4-11,13,15-16H,1-3H3/t9-,10-,11+,13+/m1/s1
InChIKey WVCLKCRJXPQSIJ-DCQANWLSSA-N
Molecular Weight 241.762 g/mol
SMILES N([C@@]([C@@]([C@@](O)(C)[H])(Cl)[H])(C)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-0900000000-ca0804e8a9825aa9bf62
Source of Spectrum QC-17-1314-3
Wiley ID 1638265