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[6-13C]-(2S,4S)-5-Chloroleucine
SpectraBase Compound ID FPJQbUeDIJH
InChI InChI=1S/C6H12ClNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1/i1+1
InChIKey KSVJIHHRNJIJCQ-BONVWOIYSA-N
Mol Weight 166.61 g/mol
Molecular Formula C513CH12ClNO2
Exact Mass 166.059011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYMODXkD1sK
Name [6-13C]-(2S,4S)-5-Chloroleucine
Comments Original formula: C5[13C]H12ClNO2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12ClNO2
InChI InChI=1S/C6H12ClNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1/i1+1
InChIKey KSVJIHHRNJIJCQ-BONVWOIYSA-N
Molecular Weight 166.612 g/mol
SMILES [13CH3][C@@](C[C@@](C(=O)O)(N)[H])(CCl)[H]
SPLASH splash10-000i-9100000000-2aed6ac994023a8341ed
Source of Spectrum Y1-44-288-12
Wiley ID 1621258