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1,4-Bis(trifluoroacetyl)-3-methyl-2,5-diketopiperazine
SpectraBase Compound ID 9JzEPEZS6k1
InChI InChI=1S/C9H6F6N2O4/c1-3-5(19)16(6(20)8(10,11)12)2-4(18)17(3)7(21)9(13,14)15/h3H,2H2,1H3/t3-/m0/s1
InChIKey LKTABFHVERHIMP-VKHMYHEASA-N
Mol Weight 320.15 g/mol
Molecular Formula C9H6F6N2O4
Exact Mass 320.023176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E08XFR3Em3c
Name 1,4-Bis(trifluoroacetyl)-3-methyl-2,5-diketopiperazine
Alternate Name(s) 3-Methyl-1,4-bis(trifluoroacetyl)-2,5-piperazinedione
CAS Registry Number 71598-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F6N2O4
InChI InChI=1S/C9H6F6N2O4/c1-3-5(19)16(6(20)8(10,11)12)2-4(18)17(3)7(21)9(13,14)15/h3H,2H2,1H3/t3-/m0/s1
InChIKey LKTABFHVERHIMP-VKHMYHEASA-N
Molecular Weight 320.147 g/mol
SMILES C1(N(CC(N([C@]1(C)[H])C(C(F)(F)F)=O)=O)C(C(F)(F)F)=O)=O
SPLASH splash10-01bc-9700000000-ac94a5325a4da7b49f07
Source of Spectrum I-57-2040-0
Wiley ID 1319607