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6-[(Trichloroacetyl)amino]-2-aminohexanoic Acid
SpectraBase Compound ID IyfXTz3Mk7J
InChI InChI=1S/C8H13Cl3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
InChIKey DDALUBGGQCPWJA-YFKPBYRVSA-N
Mol Weight 291.56 g/mol
Molecular Formula C8H13Cl3N2O3
Exact Mass 289.999175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aF6SarmOzA
Name 6-[(Trichloroacetyl)amino]-2-aminohexanoic Acid
Alternate Name(s) N(6)-(Trichloroacetyl)-L-Lysine (2S)-2-amino-6-[(2,2,2-trichloro-1-oxoethyl)amino]hexanoic acid (2S)-2-azanyl-6-[2,2,2-tris(chloranyl)ethanoylamino]hexanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C8H13Cl3N2O3
InChI InChI=1S/C8H13Cl3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
InChIKey DDALUBGGQCPWJA-YFKPBYRVSA-N
Molecular Weight 291.562 g/mol
SMILES N(C(C(Cl)(Cl)Cl)=O)CCCC[C@@](C(=O)O)(N)[H]
SPLASH splash10-0006-0090000000-07c201cf1b169f7c325a
Source of Spectrum CRT-15-1098-1
Wiley ID 1709937